N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide

C12H24N2O4S — CID 62335541

IUPACN-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)CC(C)O
InChIInChI=1S/C12H24N2O4S/c1-4-8-19(17,18)14-7-5-6-11(14)12(16)13(3)9-10(2)15/h10-11,15H,4-9H2,1-3H3
InChIKeyQBULBXKJPZVGRK-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.03
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 62335541) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID62335541
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)CC(C)O
InChIInChI=1S/C12H24N2O4S/c1-4-8-19(17,18)14-7-5-6-11(14)12(16)13(3)9-10(2)15/h10-11,15H,4-9H2,1-3H3
InChIKeyQBULBXKJPZVGRK-UHFFFAOYSA-N
XLogP0.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(2R)-1-propylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 97098894
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119551453
N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044798
N-[(2-bromophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044708
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134035793
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134040898
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429401
N-[(3,4-difluorophenyl)methyl]-N-methyl-1-propylsulfonylpiperidine-2-carboxamide
CID 55966830
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide (CID 62335541) is N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QBULBXKJPZVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-8-19(17,18)14-7-5-6-11(14)12(16)13(3)9-10(2)15/h10-11,15H,4-9H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62335541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).