N-(3-methylphenyl)thiomorpholine-3-carboxamide

C12H16N2OS — CID 82906077

IUPACN-(3-methylphenyl)thiomorpholine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CSCCN2)c1
InChIInChI=1S/C12H16N2OS/c1-9-3-2-4-10(7-9)14-12(15)11-8-16-6-5-13-11/h2-4,7,11,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyFYCMWBLCCZIGFS-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.64
Rot. Bonds2

About N-(3-methylphenyl)thiomorpholine-3-carboxamide

N-(3-methylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82906077) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-methylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)thiomorpholine-3-carboxamide
PubChem CID82906077
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(3-methylphenyl)thiomorpholine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CSCCN2)c1
InChIInChI=1S/C12H16N2OS/c1-9-3-2-4-10(7-9)14-12(15)11-8-16-6-5-13-11/h2-4,7,11,13H,5-6,8H2,1H3,(H,14,15)
InChIKeyFYCMWBLCCZIGFS-UHFFFAOYSA-N
XLogP1.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(sulfamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82908775
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-[3-(2-methoxyethoxy)phenyl]thiomorpholine-3-carboxamide
CID 82908280
N-[3-(1,2,4-triazol-4-yl)phenyl]thiomorpholine-3-carboxamide
CID 82905705
N-(3,4-difluorophenyl)thiomorpholine-3-carboxamide
CID 82906459
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-pyridin-3-ylthiomorpholine-3-carboxamide
CID 82905944
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(3,5-dimethoxyphenyl)thiomorpholine-3-carboxamide
CID 82906449

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)thiomorpholine-3-carboxamide (CID 82906077) is N-(3-methylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)thiomorpholine-3-carboxamide is Cc1cccc(NC(=O)C2CSCCN2)c1.
What is the InChIKey of N-(3-methylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is FYCMWBLCCZIGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-3-2-4-10(7-9)14-12(15)11-8-16-6-5-13-11/h2-4,7,11,13H,5-6,8H2,1H3,(H,14,15).
What are the key properties of N-(3-methylphenyl)thiomorpholine-3-carboxamide?
N-(3-methylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).