1-cyclopentylsulfanyl-3-methylhexan-2-amine

C12H25NS — CID 107896535

IUPAC1-cyclopentylsulfanyl-3-methylhexan-2-amine
SMILESCCCC(C)C(N)CSC1CCCC1
InChIInChI=1S/C12H25NS/c1-3-6-10(2)12(13)9-14-11-7-4-5-8-11/h10-12H,3-9,13H2,1-2H3
InChIKeyVPCZUMOAHOEJIO-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.43
Rot. Bonds6

About 1-cyclopentylsulfanyl-3-methylhexan-2-amine

1-cyclopentylsulfanyl-3-methylhexan-2-amine (PubChem CID 107896535) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-3-methylhexan-2-amine
PubChem CID107896535
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-cyclopentylsulfanyl-3-methylhexan-2-amine
SMILESCCCC(C)C(N)CSC1CCCC1
InChIInChI=1S/C12H25NS/c1-3-6-10(2)12(13)9-14-11-7-4-5-8-11/h10-12H,3-9,13H2,1-2H3
InChIKeyVPCZUMOAHOEJIO-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclohexylsulfanylundecan-2-amine
CID 65139901
1-cyclohexylsulfanylnonan-2-amine
CID 65139649
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
1-cyclohexylsulfanyldecan-3-amine
CID 142946145
1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine
CID 65140829
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
1-cyclohexylsulfanylpropan-2-ylhydrazine
CID 105227877
1-cyclopentylsulfanyl-5-ethylsulfonylpentan-2-amine
CID 65138550
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
N-(2-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
1-cyclohexylsulfanyl-3-propan-2-yloxypropan-2-amine
CID 79574880

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-3-methylhexan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-3-methylhexan-2-amine (CID 107896535) is 1-cyclopentylsulfanyl-3-methylhexan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-3-methylhexan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-3-methylhexan-2-amine is CCCC(C)C(N)CSC1CCCC1.
What is the InChIKey of 1-cyclopentylsulfanyl-3-methylhexan-2-amine?
The InChIKey is VPCZUMOAHOEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-6-10(2)12(13)9-14-11-7-4-5-8-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-cyclopentylsulfanyl-3-methylhexan-2-amine?
1-cyclopentylsulfanyl-3-methylhexan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-3-methylhexan-2-amine is sourced from PubChem (CID 107896535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).