N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide

C14H22N4O3S2 — CID 120994763

IUPACN-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC(N3CCNCC3)C2)c1
InChIInChI=1S/C14H22N4O3S2/c1-15-23(20,21)12-8-13(22-10-12)14(19)18-5-2-11(9-18)17-6-3-16-4-7-17/h8,10-11,15-16H,2-7,9H2,1H3
InChIKeyKBDAMJTUMIEMDV-UHFFFAOYSA-N
MW358.49 g/mol
LogP-0.22
Rot. Bonds4

About N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide

N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide (PubChem CID 120994763) has the molecular formula C14H22N4O3S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
PubChem CID120994763
Molecular FormulaC14H22N4O3S2
Molecular Weight358.49 g/mol
Exact Mass358.11
IUPAC NameN-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC(N3CCNCC3)C2)c1
InChIInChI=1S/C14H22N4O3S2/c1-15-23(20,21)12-8-13(22-10-12)14(19)18-5-2-11(9-18)17-6-3-16-4-7-17/h8,10-11,15-16H,2-7,9H2,1H3
InChIKeyKBDAMJTUMIEMDV-UHFFFAOYSA-N
XLogP-0.22
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromothiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994398
(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid
CID 120514157
1-[5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;hydrochloride
CID 120997297
N-tert-butyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120997534
N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482039
N-cyclopropyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 120996105
(3-piperazin-1-ylpyrrolidin-1-yl)-(2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 120995259
4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 119448759
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
5-[2-(2-chlorophenyl)piperazine-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 120739064
N-methyl-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]thiophene-3-sulfonamide;hydrochloride
CID 120878225
(2,3-dimethyl-5-methylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997159

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide?
The IUPAC name of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide (CID 120994763) is N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide?
The canonical SMILES for N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide is CNS(=O)(=O)c1csc(C(=O)N2CCC(N3CCNCC3)C2)c1.
What is the InChIKey of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide?
The InChIKey is KBDAMJTUMIEMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S2/c1-15-23(20,21)12-8-13(22-10-12)14(19)18-5-2-11(9-18)17-6-3-16-4-7-17/h8,10-11,15-16H,2-7,9H2,1H3.
What are the key properties of N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide?
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide has a molecular weight of 358.49 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophene-3-sulfonamide is sourced from PubChem (CID 120994763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).