3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide

C10H12F2N2O3S2 — CID 119450494

IUPAC3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCNC1)c1sccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H12F2N2O3S2/c11-10(12)19(16,17)7-2-4-18-8(7)9(15)14-6-1-3-13-5-6/h2,4,6,10,13H,1,3,5H2,(H,14,15)
InChIKeyKDQOVBBTMFHVCI-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.84
Rot. Bonds4

About 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide

3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 119450494) has the molecular formula C10H12F2N2O3S2 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID119450494
Molecular FormulaC10H12F2N2O3S2
Molecular Weight310.35 g/mol
Exact Mass310.03
IUPAC Name3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESO=C(NC1CCNC1)c1sccc1S(=O)(=O)C(F)F
InChIInChI=1S/C10H12F2N2O3S2/c11-10(12)19(16,17)7-2-4-18-8(7)9(15)14-6-1-3-13-5-6/h2,4,6,10,13H,1,3,5H2,(H,14,15)
InChIKeyKDQOVBBTMFHVCI-UHFFFAOYSA-N
XLogP0.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454350
N-pyrrolidin-3-yl-3-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxamide;hydrochloride
CID 119451091
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 126775559
3-morpholin-4-ylsulfonyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 119386595
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
3-ethyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866507
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488818
4-(difluoromethylsulfonyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387742
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide
CID 119495837

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 119450494) is 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide is O=C(NC1CCNC1)c1sccc1S(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is KDQOVBBTMFHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S2/c11-10(12)19(16,17)7-2-4-18-8(7)9(15)14-6-1-3-13-5-6/h2,4,6,10,13H,1,3,5H2,(H,14,15).
What are the key properties of 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide?
3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 119450494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).