N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide

C14H20N2OS — CID 82916802

IUPACN-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1CSCCN1
InChIInChI=1S/C14H20N2OS/c1-10-5-3-4-6-12(10)11(2)16-14(17)13-9-18-8-7-15-13/h3-6,11,13,15H,7-9H2,1-2H3,(H,16,17)/t11-,13?/m0/s1
InChIKeyAXSCGGMODPKWJP-AMGKYWFPSA-N
MW264.39 g/mol
LogP1.88
Rot. Bonds3

About N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide

N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide (PubChem CID 82916802) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
PubChem CID82916802
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
SMILESCc1ccccc1[C@H](C)NC(=O)C1CSCCN1
InChIInChI=1S/C14H20N2OS/c1-10-5-3-4-6-12(10)11(2)16-14(17)13-9-18-8-7-15-13/h3-6,11,13,15H,7-9H2,1-2H3,(H,16,17)/t11-,13?/m0/s1
InChIKeyAXSCGGMODPKWJP-AMGKYWFPSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide 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

4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
N-[1-(2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119686030
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
4-methoxy-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 61260072
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905701
N-[2-methyl-1-(2-methylphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939067
N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiomorpholine-3-carboxamide
CID 82897273
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-[1-(1,3-thiazol-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82915947
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide (CID 82916802) is N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide is Cc1ccccc1[C@H](C)NC(=O)C1CSCCN1.
What is the InChIKey of N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide?
The InChIKey is AXSCGGMODPKWJP-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-5-3-4-6-12(10)11(2)16-14(17)13-9-18-8-7-15-13/h3-6,11,13,15H,7-9H2,1-2H3,(H,16,17)/t11-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide?
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82916802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).