N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide

C9H14N2O4S3 — CID 110871311

IUPACN-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C9H14N2O4S3/c1-17(12,13)11-5-4-8(7-11)10-18(14,15)9-3-2-6-16-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyLLLAAKMHZUMPNA-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.06
Rot. Bonds4

About N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide

N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide (PubChem CID 110871311) has the molecular formula C9H14N2O4S3 and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
PubChem CID110871311
Molecular FormulaC9H14N2O4S3
Molecular Weight310.42 g/mol
Exact Mass310.01
IUPAC NameN-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)C1
InChIInChI=1S/C9H14N2O4S3/c1-17(12,13)11-5-4-8(7-11)10-18(14,15)9-3-2-6-16-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeyLLLAAKMHZUMPNA-UHFFFAOYSA-N
XLogP0.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]thiophene-2-sulfonamide
CID 46558306
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
4-fluoro-N-(1-methylsulfonylpyrrolidin-3-yl)benzenesulfonamide
CID 110871302
N-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 96539853
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71645820
N-cyclopropyl-N-ethyl-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55648993
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
methyl 4-chloro-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]sulfonylbenzoate
CID 30872655
5-bromo-N-(1-methylsulfonylpiperidin-4-yl)thiophene-2-sulfonamide
CID 37308568
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119930328

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide (CID 110871311) is N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide is CS(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide?
The InChIKey is LLLAAKMHZUMPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S3/c1-17(12,13)11-5-4-8(7-11)10-18(14,15)9-3-2-6-16-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide?
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110871311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).