N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide

C12H24N2O4S — CID 65036791

IUPACN-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(C)CO
InChIInChI=1S/C12H24N2O4S/c1-3-7-19(17,18)14-6-4-5-11(14)12(16)13-8-10(2)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyWKZHQOQXZNQUTE-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.06
Rot. Bonds7

About N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 65036791) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID65036791
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NCC(C)CO
InChIInChI=1S/C12H24N2O4S/c1-3-7-19(17,18)14-6-4-5-11(14)12(16)13-8-10(2)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyWKZHQOQXZNQUTE-UHFFFAOYSA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119496331
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134035793
2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1-propylsulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 134057497

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 65036791) is N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NCC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is WKZHQOQXZNQUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-7-19(17,18)14-6-4-5-11(14)12(16)13-8-10(2)9-15/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 65036791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).