[2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol

C28H60N10S6 — CID 88808546

IUPAC[2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol
SMILESCC(C)(/N=N/C1CCCCC1)NC(S)NNC(S)SCCCCCCSC(S)NNC(S)NC(C)(C)/N=N/C1CCCCC1
InChIInChI=1S/C28H60N10S6/c1-27(2,37-31-21-15-9-7-10-16-21)29-23(39)33-35-25(41)43-19-13-5-6-14-20-44-26(42)36-34-24(40)30-28(3,4)38-32-22-17-11-8-12-18-22/h21-26,29-30,33-36,39-42H,5-20H2,1-4H3/b37-31+,38-32+
InChIKeyURCUCQVBIMJLEN-CBSZVXRSSA-N
MW729.26 g/mol
LogP7.28
Rot. Bonds23

About [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol

[2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol (PubChem CID 88808546) has the molecular formula C28H60N10S6 and a molecular weight of 729.26 g/mol. Its IUPAC name is [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol.

Molecular Properties

Compound Name[2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol
PubChem CID88808546
Molecular FormulaC28H60N10S6
Molecular Weight729.26 g/mol
Exact Mass728.33
IUPAC Name[2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol
SMILESCC(C)(/N=N/C1CCCCC1)NC(S)NNC(S)SCCCCCCSC(S)NNC(S)NC(C)(C)/N=N/C1CCCCC1
InChIInChI=1S/C28H60N10S6/c1-27(2,37-31-21-15-9-7-10-16-21)29-23(39)33-35-25(41)43-19-13-5-6-14-20-44-26(42)36-34-24(40)30-28(3,4)38-32-22-17-11-8-12-18-22/h21-26,29-30,33-36,39-42H,5-20H2,1-4H3/b37-31+,38-32+
InChIKeyURCUCQVBIMJLEN-CBSZVXRSSA-N
XLogP7.28
TPSA121.62 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms44
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500729.26
LogP ≤ 57.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol with MolForge

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Related Compounds

cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene
CID 21387034
cyclohexyl(2-methoxypropan-2-yl)diazene
CID 21387327
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
2-(cyclopentylmethylsulfanyl)-3,3-dimethylbutan-1-amine
CID 63119306
2-heptylsulfanylethylcyclohexane
CID 557257
octylsulfanylcycloheptane
CID 70441156
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
N-(2-cyclohexylsulfanylethyl)pentan-3-amine
CID 62580088
butylcyclohexane;N-methylmethanamine
CID 174941558
1-cyclopentyl-3,3-dimethylbutane-2-thiol
CID 145173372
1-(hexyldisulfanyl)ethylcyclohexane
CID 118070755

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol?
The IUPAC name of [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol (CID 88808546) is [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol.
What is the SMILES notation for [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol?
The canonical SMILES for [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol is CC(C)(/N=N/C1CCCCC1)NC(S)NNC(S)SCCCCCCSC(S)NNC(S)NC(C)(C)/N=N/C1CCCCC1.
What is the InChIKey of [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol?
The InChIKey is URCUCQVBIMJLEN-CBSZVXRSSA-N. The full InChI is InChI=1S/C28H60N10S6/c1-27(2,37-31-21-15-9-7-10-16-21)29-23(39)33-35-25(41)43-19-13-5-6-14-20-44-26(42)36-34-24(40)30-28(3,4)38-32-22-17-11-8-12-18-22/h21-26,29-30,33-36,39-42H,5-20H2,1-4H3/b37-31+,38-32+.
What are the key properties of [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol?
[2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol has a molecular weight of 729.26 g/mol, XLogP of 7.28, 23 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexyldiazenyl)propan-2-ylamino]-[2-[6-[[2-[[2-(cyclohexyldiazenyl)propan-2-ylamino]-sulfanylmethyl]hydrazinyl]-sulfanylmethyl]sulfanylhexylsulfanyl-sulfanylmethyl]hydrazinyl]methanethiol is sourced from PubChem (CID 88808546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).