6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol

C11H25NS2 — CID 112667562

IUPAC6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
SMILESCSCC(C)N(C)CCCCCCS
InChIInChI=1S/C11H25NS2/c1-11(10-14-3)12(2)8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3
InChIKeyKAGSKPSZMFSUPM-UHFFFAOYSA-N
MW235.46 g/mol
LogP3.16
Rot. Bonds9

About 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol

6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol (PubChem CID 112667562) has the molecular formula C11H25NS2 and a molecular weight of 235.46 g/mol. Its IUPAC name is 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol.

Molecular Properties

Compound Name6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
PubChem CID112667562
Molecular FormulaC11H25NS2
Molecular Weight235.46 g/mol
Exact Mass235.14
IUPAC Name6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol
SMILESCSCC(C)N(C)CCCCCCS
InChIInChI=1S/C11H25NS2/c1-11(10-14-3)12(2)8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3
InChIKeyKAGSKPSZMFSUPM-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(6-sulfanylhexyl)amino]propan-1-ol
CID 104556960
N,N'-dimethyl-N'-(1-methylsulfanylpropan-2-yl)butane-1,4-diamine
CID 112661084
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexanoic acid
CID 112661582
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112665952
N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
CID 115873128
N',2-dimethyl-N'-(1-methylsulfanylpropan-2-yl)pentane-1,5-diamine
CID 112661159
methyl 4-[methyl(1-methylsulfanylpropan-2-yl)amino]butanoate
CID 112692200
4-[methyl(1-methylsulfanylpropan-2-yl)amino]butan-2-one
CID 112702867
N-cyclohexyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 112666260
9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
N'-methyl-N'-(1-methylsulfanylpropan-2-yl)-1-phenylbutane-1,4-diamine
CID 112661233
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol?
The IUPAC name of 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol (CID 112667562) is 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol.
What is the SMILES notation for 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol?
The canonical SMILES for 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol is CSCC(C)N(C)CCCCCCS.
What is the InChIKey of 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol?
The InChIKey is KAGSKPSZMFSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS2/c1-11(10-14-3)12(2)8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3.
What are the key properties of 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol?
6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol has a molecular weight of 235.46 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1-methylsulfanylpropan-2-yl)amino]hexane-1-thiol is sourced from PubChem (CID 112667562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).