N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

C13H23N3O4S — CID 49389470

IUPACN-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCNC1=O
InChIInChI=1S/C13H23N3O4S/c1-2-9-21(19,20)16-8-4-6-11(16)13(18)15-10-5-3-7-14-12(10)17/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyFWNHEOKAXVPSME-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.41
Rot. Bonds5

About N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 49389470) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID49389470
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCCNC1=O
InChIInChI=1S/C13H23N3O4S/c1-2-9-21(19,20)16-8-4-6-11(16)13(18)15-10-5-3-7-14-12(10)17/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyFWNHEOKAXVPSME-UHFFFAOYSA-N
XLogP-0.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 120599459
1-propylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide
CID 51240613
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824
N-(3,3-dimethylcyclopentyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 115881676
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
cis-(1R,3S)-3-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677771
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 49389470) is N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FWNHEOKAXVPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-2-9-21(19,20)16-8-4-6-11(16)13(18)15-10-5-3-7-14-12(10)17/h10-11H,2-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 49389470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).