(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol

C14H15NOS — CID 114057152

IUPAC(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
SMILESCc1ccccc1Sc1ncccc1[C@@H](C)O
InChIInChI=1S/C14H15NOS/c1-10-6-3-4-8-13(10)17-14-12(11(2)16)7-5-9-15-14/h3-9,11,16H,1-2H3/t11-/m1/s1
InChIKeyXOKASNUPFCCDGW-LLVKDONJSA-N
MW245.35 g/mol
LogP3.59
Rot. Bonds3

About (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol

(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol (PubChem CID 114057152) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
PubChem CID114057152
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol
SMILESCc1ccccc1Sc1ncccc1[C@@H](C)O
InChIInChI=1S/C14H15NOS/c1-10-6-3-4-8-13(10)17-14-12(11(2)16)7-5-9-15-14/h3-9,11,16H,1-2H3/t11-/m1/s1
InChIKeyXOKASNUPFCCDGW-LLVKDONJSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(2-bromophenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057147
2-(2-methylphenyl)sulfanylpyridine-3-carboxylic acid
CID 11644442
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
1-[2-(4-methoxyphenyl)sulfanyl-3-pyridinyl]ethanol
CID 114057131
2-[[3-(1-hydroxyethyl)-2-pyridinyl]sulfanyl]-1H-pyrimidin-6-one
CID 114057142
(1R)-1-(2-pyridin-2-ylsulfanylphenyl)ethanol
CID 78951870
(1S)-1-[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]ethanamine
CID 114056813
(1R)-1-[2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]ethanol
CID 114057189
(1S)-1-[5-fluoro-2-(2-methylphenyl)sulfanylphenyl]ethanol
CID 78951488
(1S)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]ethanol
CID 114057132
(1S)-1-(2-chloro-3-pyridinyl)ethanol
CID 86330823
(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol (CID 114057152) is (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol is Cc1ccccc1Sc1ncccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol?
The InChIKey is XOKASNUPFCCDGW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NOS/c1-10-6-3-4-8-13(10)17-14-12(11(2)16)7-5-9-15-14/h3-9,11,16H,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol?
(1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol has a molecular weight of 245.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(2-methylphenyl)sulfanyl-3-pyridinyl]ethanol is sourced from PubChem (CID 114057152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).