1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine

C15H24N2S — CID 114057632

IUPAC1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1cccnc1SC1CCCC(C)C1
InChIInChI=1S/C15H24N2S/c1-11-5-3-7-14(9-11)18-15-13(10-12(2)16)6-4-8-17-15/h4,6,8,11-12,14H,3,5,7,9-10,16H2,1-2H3
InChIKeyNOIKCOZSEOKNJQ-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine

1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine (PubChem CID 114057632) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine
PubChem CID114057632
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1cccnc1SC1CCCC(C)C1
InChIInChI=1S/C15H24N2S/c1-11-5-3-7-14(9-11)18-15-13(10-12(2)16)6-4-8-17-15/h4,6,8,11-12,14H,3,5,7,9-10,16H2,1-2H3
InChIKeyNOIKCOZSEOKNJQ-UHFFFAOYSA-N
XLogP3.64
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylcyclohexyl)sulfanylpyridine-3-carbonitrile
CID 62721346
3-[(3-methylcyclohexyl)sulfanylmethyl]pyridin-2-amine
CID 62721197
3-amino-2-(3-methylcyclohexyl)sulfanylpyridine-4-carbonitrile
CID 82813123
2-(3-methylcyclohexyl)sulfanyl-2-phenylethanamine
CID 62721341
1-[2-(3-methylcyclohexyl)pyrimidin-4-yl]propan-2-amine
CID 62746094
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333
5-methyl-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 62721519
N-[(2-hydrazinyl-3-pyridinyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 62472047
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63785750
3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
CID 62778890
(1R)-1-[2-(3-methylcyclohexyl)sulfanylphenyl]ethanol
CID 78951607
3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
CID 114057413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine (CID 114057632) is 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine is CC(N)Cc1cccnc1SC1CCCC(C)C1.
What is the InChIKey of 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine?
The InChIKey is NOIKCOZSEOKNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11-5-3-7-14(9-11)18-15-13(10-12(2)16)6-4-8-17-15/h4,6,8,11-12,14H,3,5,7,9-10,16H2,1-2H3.
What are the key properties of 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine?
1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 114057632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).