(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol

C19H23NOS — CID 124502633

IUPAC(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1nc(SC2CCCCC2)ccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-14-17(19(21)15-8-4-2-5-9-15)12-13-18(20-14)22-16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16,19,21H,3,6-7,10-11H2,1H3/t19-/m0/s1
InChIKeyABOKQAOGSCIELH-IBGZPJMESA-N
MW313.47 g/mol
LogP4.90
Rot. Bonds4

About (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol

(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol (PubChem CID 124502633) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol
PubChem CID124502633
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC Name(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol
SMILESCc1nc(SC2CCCCC2)ccc1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H23NOS/c1-14-17(19(21)15-8-4-2-5-9-15)12-13-18(20-14)22-16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16,19,21H,3,6-7,10-11H2,1H3/t19-/m0/s1
InChIKeyABOKQAOGSCIELH-IBGZPJMESA-N
XLogP4.90
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)propan-1-amine
CID 102546442
(2,6-dimethyl-3-pyridinyl)-phenylmethanol
CID 115604798
(6-chloro-2-methyl-3-pyridinyl)-phenylmethanol
CID 102546990
N-[(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847144
2-cyclohexylsulfanyl-4-methyl-6-(1-phenylethyl)phenol
CID 15139972
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]-phenylmethanol
CID 102546476
[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 65143990
2-bromo-6-cyclopentylsulfanylpyridine
CID 63963685
(2-cyclohexylsulfanylphenyl) acetate
CID 10514848
(6-cyclopentylsulfanyl-2-pyridinyl)methanol
CID 90118065
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463

Frequently Asked Questions

What is the IUPAC name of (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol?
The IUPAC name of (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol (CID 124502633) is (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol.
What is the SMILES notation for (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol?
The canonical SMILES for (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol is Cc1nc(SC2CCCCC2)ccc1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol?
The InChIKey is ABOKQAOGSCIELH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23NOS/c1-14-17(19(21)15-8-4-2-5-9-15)12-13-18(20-14)22-16-10-6-3-7-11-16/h2,4-5,8-9,12-13,16,19,21H,3,6-7,10-11H2,1H3/t19-/m0/s1.
What are the key properties of (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol?
(S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol has a molecular weight of 313.47 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(6-cyclohexylsulfanyl-2-methyl-3-pyridinyl)-phenylmethanol is sourced from PubChem (CID 124502633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).