N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine

C19H38N2S2 — CID 130247024

IUPACN-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine
SMILESCC(C)N(SCSN(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H38N2S2/c1-16(2)20(18-11-7-5-8-12-18)22-15-23-21(17(3)4)19-13-9-6-10-14-19/h16-19H,5-15H2,1-4H3
InChIKeyJAOAMGABHYFNAQ-UHFFFAOYSA-N
MW358.66 g/mol
LogP6.33
Rot. Bonds8

About N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine

N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine (PubChem CID 130247024) has the molecular formula C19H38N2S2 and a molecular weight of 358.66 g/mol. Its IUPAC name is N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine.

Molecular Properties

Compound NameN-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine
PubChem CID130247024
Molecular FormulaC19H38N2S2
Molecular Weight358.66 g/mol
Exact Mass358.25
IUPAC NameN-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine
SMILESCC(C)N(SCSN(C(C)C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H38N2S2/c1-16(2)20(18-11-7-5-8-12-18)22-15-23-21(17(3)4)19-13-9-6-10-14-19/h16-19H,5-15H2,1-4H3
InChIKeyJAOAMGABHYFNAQ-UHFFFAOYSA-N
XLogP6.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.66
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine?
The IUPAC name of N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine (CID 130247024) is N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine.
What is the SMILES notation for N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine?
The canonical SMILES for N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine is CC(C)N(SCSN(C(C)C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine?
The InChIKey is JAOAMGABHYFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2S2/c1-16(2)20(18-11-7-5-8-12-18)22-15-23-21(17(3)4)19-13-9-6-10-14-19/h16-19H,5-15H2,1-4H3.
What are the key properties of N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine?
N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine has a molecular weight of 358.66 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[cyclohexyl(propan-2-yl)amino]sulfanylmethylsulfanyl]-N-propan-2-ylcyclohexanamine is sourced from PubChem (CID 130247024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).