3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide

C13H21N3O3S2 — CID 119535146

IUPAC3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)NCCC1CCNC1
InChIInChI=1S/C13H21N3O3S2/c1-16(2)21(18,19)11-5-8-20-12(11)13(17)15-7-4-10-3-6-14-9-10/h5,8,10,14H,3-4,6-7,9H2,1-2H3,(H,15,17)
InChIKeyOUGXOQDTDMKAEY-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.73
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide

3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 119535146) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
PubChem CID119535146
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccsc1C(=O)NCCC1CCNC1
InChIInChI=1S/C13H21N3O3S2/c1-16(2)21(18,19)11-5-8-20-12(11)13(17)15-7-4-10-3-6-14-9-10/h5,8,10,14H,3-4,6-7,9H2,1-2H3,(H,15,17)
InChIKeyOUGXOQDTDMKAEY-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 119461586
N-(2-pyrrolidin-3-ylethyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide;hydrochloride
CID 119535631
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
3-(dimethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119392093
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 86777491
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
3-(diethylsulfamoyl)-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537403
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119537568

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide (CID 119535146) is 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide is CN(C)S(=O)(=O)c1ccsc1C(=O)NCCC1CCNC1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is OUGXOQDTDMKAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-16(2)21(18,19)11-5-8-20-12(11)13(17)15-7-4-10-3-6-14-9-10/h5,8,10,14H,3-4,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide?
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 119535146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).