N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide

C12H15ClN2OS — CID 82906287

IUPACN-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CSCCN2)c(Cl)c1
InChIInChI=1S/C12H15ClN2OS/c1-8-2-3-10(9(13)6-8)15-12(16)11-7-17-5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyUYFJMDCWODDOSZ-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.29
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide

N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906287) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
PubChem CID82906287
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CSCCN2)c(Cl)c1
InChIInChI=1S/C12H15ClN2OS/c1-8-2-3-10(9(13)6-8)15-12(16)11-7-17-5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyUYFJMDCWODDOSZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(2-ethoxy-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82908618
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-(5-chloro-2,4-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82905750
methyl 4-chloro-2-(thiomorpholine-3-carbonylamino)benzoate
CID 82906504
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
N-(2-chloro-5-nitrophenyl)thiomorpholine-3-carboxamide
CID 82909107
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide (CID 82906287) is N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide is Cc1ccc(NC(=O)C2CSCCN2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is UYFJMDCWODDOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-8-2-3-10(9(13)6-8)15-12(16)11-7-17-5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide?
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 270.78 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).