(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C12H20N4O3S2 — CID 95274519

IUPAC(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1
InChIInChI=1S/C12H20N4O3S2/c1-3-15(4-2)21(18,19)16-8-5-6-10(16)11(17)14-12-13-7-9-20-12/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,17)/t10-/m0/s1
InChIKeyMPECTSGFPHFBGX-JTQLQIEISA-N
MW332.45 g/mol
LogP1.13
Rot. Bonds6

About (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 95274519) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID95274519
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1
InChIInChI=1S/C12H20N4O3S2/c1-3-15(4-2)21(18,19)16-8-5-6-10(16)11(17)14-12-13-7-9-20-12/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,17)/t10-/m0/s1
InChIKeyMPECTSGFPHFBGX-JTQLQIEISA-N
XLogP1.13
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60548466
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
1-propylsulfonyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 47387426
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
(2R)-N-(1,3-thiazol-2-yl)-1-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 51957320
1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 126792661
1-(4-aminopentanoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120564792
1-N-(4-fluorophenyl)-1-N-methyl-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 86818508
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 3336070

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 95274519) is (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCN(CC)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccs1.
What is the InChIKey of (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is MPECTSGFPHFBGX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-3-15(4-2)21(18,19)16-8-5-6-10(16)11(17)14-12-13-7-9-20-12/h7,9-10H,3-6,8H2,1-2H3,(H,13,14,17)/t10-/m0/s1.
What are the key properties of (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95274519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).