N-(methanesulfonamidomethyl)thiophene-3-sulfonamide

C6H10N2O4S3 — CID 90789852

IUPACN-(methanesulfonamidomethyl)thiophene-3-sulfonamide
SMILESCS(=O)(=O)NCNS(=O)(=O)c1ccsc1
InChIInChI=1S/C6H10N2O4S3/c1-14(9,10)7-5-8-15(11,12)6-2-3-13-4-6/h2-4,7-8H,5H2,1H3
InChIKeyOROGLWJRDGBUMJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP-0.47
Rot. Bonds5

About N-(methanesulfonamidomethyl)thiophene-3-sulfonamide

N-(methanesulfonamidomethyl)thiophene-3-sulfonamide (PubChem CID 90789852) has the molecular formula C6H10N2O4S3 and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(methanesulfonamidomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(methanesulfonamidomethyl)thiophene-3-sulfonamide
PubChem CID90789852
Molecular FormulaC6H10N2O4S3
Molecular Weight270.36 g/mol
Exact Mass269.98
IUPAC NameN-(methanesulfonamidomethyl)thiophene-3-sulfonamide
SMILESCS(=O)(=O)NCNS(=O)(=O)c1ccsc1
InChIInChI=1S/C6H10N2O4S3/c1-14(9,10)7-5-8-15(11,12)6-2-3-13-4-6/h2-4,7-8H,5H2,1H3
InChIKeyOROGLWJRDGBUMJ-UHFFFAOYSA-N
XLogP-0.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-thiophen-3-ylsulfonylsulfonylthiophene
CID 101047717
methyl N-thiophen-3-ylsulfonylcarbamate
CID 23445473
N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 166371367
pentyl 2-amino-3-(thiophen-3-ylsulfonylamino)propanoate
CID 155389340
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 40860290
N-[[2-(diethylamino)-3-pyridinyl]methyl]thiophene-3-sulfonamide
CID 25454344
thiophene-3-sulfonamide
CID 1201388
lithium thiophene-3-sulfonate
CID 155092365
N-(4-chlorophenyl)thiophene-3-sulfonamide
CID 86220695
ethane;3-propan-2-ylsulfonylthiophene
CID 143985187
N,N-diethylethanamine;thiophene-3-sulfonamide
CID 157152983
N-(1-ethyl-2-oxopyrrolidin-3-yl)thiophene-3-sulfonamide
CID 126804894

Frequently Asked Questions

What is the IUPAC name of N-(methanesulfonamidomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(methanesulfonamidomethyl)thiophene-3-sulfonamide (CID 90789852) is N-(methanesulfonamidomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(methanesulfonamidomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(methanesulfonamidomethyl)thiophene-3-sulfonamide is CS(=O)(=O)NCNS(=O)(=O)c1ccsc1.
What is the InChIKey of N-(methanesulfonamidomethyl)thiophene-3-sulfonamide?
The InChIKey is OROGLWJRDGBUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S3/c1-14(9,10)7-5-8-15(11,12)6-2-3-13-4-6/h2-4,7-8H,5H2,1H3.
What are the key properties of N-(methanesulfonamidomethyl)thiophene-3-sulfonamide?
N-(methanesulfonamidomethyl)thiophene-3-sulfonamide has a molecular weight of 270.36 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methanesulfonamidomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 90789852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).