N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C13H19N3O5S2 — CID 72907416

IUPACN-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O5S2/c1-10-3-4-11(15-22(2,18)19)9-12(10)14-13(17)16-5-7-23(20,21)8-6-16/h3-4,9,15H,5-8H2,1-2H3,(H,14,17)
InChIKeySIWLUTUACKQAOK-UHFFFAOYSA-N
MW361.45 g/mol
LogP0.63
Rot. Bonds3

About N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 72907416) has the molecular formula C13H19N3O5S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID72907416
Molecular FormulaC13H19N3O5S2
Molecular Weight361.45 g/mol
Exact Mass361.08
IUPAC NameN-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C13H19N3O5S2/c1-10-3-4-11(15-22(2,18)19)9-12(10)14-13(17)16-5-7-23(20,21)8-6-16/h3-4,9,15H,5-8H2,1-2H3,(H,14,17)
InChIKeySIWLUTUACKQAOK-UHFFFAOYSA-N
XLogP0.63
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 74242754
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
N-(5-acetamido-2-methylphenyl)-4-morpholin-4-ylsulfonylpiperazine-1-carboxamide
CID 55742297
N-[4-(1-hydroxyethyl)phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 61341797
N-(2,4-dibromophenyl)-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 56556433
(3aR,7aS)-N-[2-fluoro-5-(methanesulfonamido)phenyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 74241927
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
dimethyl (E)-2-[5-(methanesulfonamido)-2-methylanilino]but-2-enedioate
CID 168570389
2-chloro-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 166404140
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
CID 154839545

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 72907416) is N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is Cc1ccc(NS(C)(=O)=O)cc1NC(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is SIWLUTUACKQAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5S2/c1-10-3-4-11(15-22(2,18)19)9-12(10)14-13(17)16-5-7-23(20,21)8-6-16/h3-4,9,15H,5-8H2,1-2H3,(H,14,17).
What are the key properties of N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-2-methylphenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 72907416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).