(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine

C15H22ClNO2S — CID 97159773

IUPAC(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine
SMILESCOc1ccc(CN2CCS[C@@H](C)[C@@H]2C)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2S/c1-10-11(2)20-8-7-17(10)9-12-5-6-13(18-3)15(19-4)14(12)16/h5-6,10-11H,7-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyHADVHZUUVZZYJR-QWRGUYRKSA-N
MW315.87 g/mol
LogP3.68
Rot. Bonds4

About (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine

(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine (PubChem CID 97159773) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine
PubChem CID97159773
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine
SMILESCOc1ccc(CN2CCS[C@@H](C)[C@@H]2C)c(Cl)c1OC
InChIInChI=1S/C15H22ClNO2S/c1-10-11(2)20-8-7-17(10)9-12-5-6-13(18-3)15(19-4)14(12)16/h5-6,10-11H,7-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyHADVHZUUVZZYJR-QWRGUYRKSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-methoxybenzonitrile
CID 115750662
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
CID 77096973
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
5-[(2,3-dimethylthiomorpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 115752781
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
methyl 2-[2-[(2,3-dimethylthiomorpholin-4-yl)methyl]phenyl]acetate
CID 115756205
(3aS,6aR)-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120661038
(3S)-3-benzyl-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperazin-2-one
CID 77094113
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 66783478
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767853
[(2S,3R)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-phenylmorpholin-2-yl]methanol
CID 134706044
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine?
The IUPAC name of (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine (CID 97159773) is (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine.
What is the SMILES notation for (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine?
The canonical SMILES for (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine is COc1ccc(CN2CCS[C@@H](C)[C@@H]2C)c(Cl)c1OC.
What is the InChIKey of (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine?
The InChIKey is HADVHZUUVZZYJR-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22ClNO2S/c1-10-11(2)20-8-7-17(10)9-12-5-6-13(18-3)15(19-4)14(12)16/h5-6,10-11H,7-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine?
(2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine has a molecular weight of 315.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3-dimethylthiomorpholine is sourced from PubChem (CID 97159773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).