N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide

C14H17N3O4S3 — CID 113013655

IUPACN-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCS(=O)(=O)C3)nc2)s1
InChIInChI=1S/C14H17N3O4S3/c1-10-2-5-14(22-10)24(20,21)17-11-3-4-13(15-8-11)16-12-6-7-23(18,19)9-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,15,16)
InChIKeyXAGBOIDHCLPWIW-UHFFFAOYSA-N
MW387.51 g/mol
LogP1.85
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide

N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113013655) has the molecular formula C14H17N3O4S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113013655
Molecular FormulaC14H17N3O4S3
Molecular Weight387.51 g/mol
Exact Mass387.04
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCS(=O)(=O)C3)nc2)s1
InChIInChI=1S/C14H17N3O4S3/c1-10-2-5-14(22-10)24(20,21)17-11-3-4-13(15-8-11)16-12-6-7-23(18,19)9-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,15,16)
InChIKeyXAGBOIDHCLPWIW-UHFFFAOYSA-N
XLogP1.85
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide 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

N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
CID 113013654
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113028667
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013629
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
5-methyl-N-[5-(3-methylbutylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030356
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042976
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113018737
N-(1,1-dioxothiolan-3-yl)-5-methyl-1,3-thiazol-2-amine
CID 16780957
N-[6-(cycloheptylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113014986
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013628

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113013655) is N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC3CCS(=O)(=O)C3)nc2)s1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is XAGBOIDHCLPWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S3/c1-10-2-5-14(22-10)24(20,21)17-11-3-4-13(15-8-11)16-12-6-7-23(18,19)9-12/h2-5,8,12,17H,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113013655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).