1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine

C15H24N2S — CID 102546442

IUPAC1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1ccc(SC2CCCCC2)nc1C
InChIInChI=1S/C15H24N2S/c1-3-14(16)13-9-10-15(17-11(13)2)18-12-7-5-4-6-8-12/h9-10,12,14H,3-8,16H2,1-2H3
InChIKeyZKSMSNSIFUDNIO-UHFFFAOYSA-N
MW264.44 g/mol
LogP4.22
Rot. Bonds4

About 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine

1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine (PubChem CID 102546442) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
PubChem CID102546442
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1ccc(SC2CCCCC2)nc1C
InChIInChI=1S/C15H24N2S/c1-3-14(16)13-9-10-15(17-11(13)2)18-12-7-5-4-6-8-12/h9-10,12,14H,3-8,16H2,1-2H3
InChIKeyZKSMSNSIFUDNIO-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
The IUPAC name of 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine (CID 102546442) is 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine is CCC(N)c1ccc(SC2CCCCC2)nc1C.
What is the InChIKey of 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
The InChIKey is ZKSMSNSIFUDNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-3-14(16)13-9-10-15(17-11(13)2)18-12-7-5-4-6-8-12/h9-10,12,14H,3-8,16H2,1-2H3.
What are the key properties of 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine?
1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 102546442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).