N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide

C13H18N2OS — CID 82905655

IUPACN-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CSCCN1
InChIInChI=1S/C13H18N2OS/c1-9-4-3-5-10(2)12(9)15-13(16)11-8-17-7-6-14-11/h3-5,11,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyLLJYPQNNCTYHFU-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.95
Rot. Bonds2

About N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide

N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82905655) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
PubChem CID82905655
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CSCCN1
InChIInChI=1S/C13H18N2OS/c1-9-4-3-5-10(2)12(9)15-13(16)11-8-17-7-6-14-11/h3-5,11,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyLLJYPQNNCTYHFU-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
CID 114915571
N-[(1S)-1-(2-methylphenyl)ethyl]thiomorpholine-3-carboxamide
CID 82916802
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036
N-(6-methyl-3-pyridinyl)thiomorpholine-3-carboxamide
CID 82917928
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-(4,6-dimethylpyrimidin-2-yl)thiomorpholine-3-carboxamide
CID 82905664
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
CID 82905917
N-(3-methoxy-2,4-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82906498
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide (CID 82905655) is N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1CSCCN1.
What is the InChIKey of N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is LLJYPQNNCTYHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9-4-3-5-10(2)12(9)15-13(16)11-8-17-7-6-14-11/h3-5,11,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide?
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).