(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide

C15H22N2O2S — CID 97249140

IUPAC(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
SMILESCc1ccc(CO)cc1NC(=O)[C@H](C)N1CCSCC1
InChIInChI=1S/C15H22N2O2S/c1-11-3-4-13(10-18)9-14(11)16-15(19)12(2)17-5-7-20-8-6-17/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyQOZMECBGTOFOIQ-LBPRGKRZSA-N
MW294.42 g/mol
LogP1.86
Rot. Bonds4

About (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide

(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 97249140) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID97249140
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
SMILESCc1ccc(CO)cc1NC(=O)[C@H](C)N1CCSCC1
InChIInChI=1S/C15H22N2O2S/c1-11-3-4-13(10-18)9-14(11)16-15(19)12(2)17-5-7-20-8-6-17/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyQOZMECBGTOFOIQ-LBPRGKRZSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 86993661
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436
(2S)-N-[2-(propylamino)phenyl]-2-thiomorpholin-4-ylpropanamide
CID 99830009
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110891637
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
N-[5-(hydroxymethyl)-2-methylphenyl]-2,3-dimethylpentanamide
CID 110025972
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
3-amino-2-methyl-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119869951
N-(5-bromo-2-methylphenyl)-2-piperazin-1-ylpropanamide
CID 43806210
N-(2-phenylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 42962435
N-(5-fluoro-2-methylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114110

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide (CID 97249140) is (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide is Cc1ccc(CO)cc1NC(=O)[C@H](C)N1CCSCC1.
What is the InChIKey of (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is QOZMECBGTOFOIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-3-4-13(10-18)9-14(11)16-15(19)12(2)17-5-7-20-8-6-17/h3-4,9,12,18H,5-8,10H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide?
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 294.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 97249140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).