(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C12H20N4O3S2 — CID 124570759

IUPAC(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)[C@H]1CCCN1c1nccs1
InChIInChI=1S/C12H20N4O3S2/c1-3-7-15(2)21(18,19)14-11(17)10-5-4-8-16(10)12-13-6-9-20-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyYQUKHPGFNWHLKV-SNVBAGLBSA-N
MW332.45 g/mol
LogP0.81
Rot. Bonds6

About (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 124570759) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID124570759
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCCN(C)S(=O)(=O)NC(=O)[C@H]1CCCN1c1nccs1
InChIInChI=1S/C12H20N4O3S2/c1-3-7-15(2)21(18,19)14-11(17)10-5-4-8-16(10)12-13-6-9-20-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyYQUKHPGFNWHLKV-SNVBAGLBSA-N
XLogP0.81
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95620247
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51936972
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926
2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
CID 174952449
N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 166281664
N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 155950021
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
(2S)-N-[(3-ethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 164643421
(2S)-1-(diethylsulfamoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95274519
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822019
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 124570759) is (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCCN(C)S(=O)(=O)NC(=O)[C@H]1CCCN1c1nccs1.
What is the InChIKey of (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is YQUKHPGFNWHLKV-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-3-7-15(2)21(18,19)14-11(17)10-5-4-8-16(10)12-13-6-9-20-12/h6,9-10H,3-5,7-8H2,1-2H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124570759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).