N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide

C8H12N2O4S3 — CID 115631261

IUPACN-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCS(=O)CCNC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O4S3/c1-16(12)3-2-10-8(11)6-4-7(15-5-6)17(9,13)14/h4-5H,2-3H2,1H3,(H,10,11)(H2,9,13,14)
InChIKeyKLFNUFCQPWJAKV-UHFFFAOYSA-N
MW296.39 g/mol
LogP-0.50
Rot. Bonds5

About N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide

N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 115631261) has the molecular formula C8H12N2O4S3 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID115631261
Molecular FormulaC8H12N2O4S3
Molecular Weight296.39 g/mol
Exact Mass296.00
IUPAC NameN-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide
SMILESCS(=O)CCNC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C8H12N2O4S3/c1-16(12)3-2-10-8(11)6-4-7(15-5-6)17(9,13)14/h4-5H,2-3H2,1H3,(H,10,11)(H2,9,13,14)
InChIKeyKLFNUFCQPWJAKV-UHFFFAOYSA-N
XLogP-0.50
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-sulfamoylthiophene-3-carbonyl)amino]pentanoic acid
CID 119235236
N-(2-phenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 39191262
5-sulfamoyl-N-(5,5,5-trifluoropentyl)thiophene-3-carboxamide
CID 115491568
N-(3-anilinopropyl)-5-sulfamoylthiophene-3-carboxamide
CID 56804960
N-(cyclopropylmethyl)-5-sulfamoylthiophene-3-carboxamide
CID 62223100
N-[(4-methylphenyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 36650596
N-(2-methylsulfinylethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
CID 14700210
N-[(1-methylcyclopentyl)methyl]-5-sulfamoylthiophene-3-carboxamide
CID 63823232
N-[(2R)-2-(ethylamino)propyl]-5-sulfamoylthiophene-3-carboxamide;hydrochloride
CID 120651740
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 119525543
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-5-sulfamoylthiophene-3-carboxamide
CID 94762614

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide (CID 115631261) is N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide is CS(=O)CCNC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is KLFNUFCQPWJAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S3/c1-16(12)3-2-10-8(11)6-4-7(15-5-6)17(9,13)14/h4-5H,2-3H2,1H3,(H,10,11)(H2,9,13,14).
What are the key properties of N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide?
N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 115631261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).