(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide

C13H25N3O3S — CID 94811016

IUPAC(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C13H25N3O3S/c1-12-5-2-10-16(11-12)20(18,19)14-7-4-9-15-8-3-6-13(15)17/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyIGMTUFCBFPVVRW-LBPRGKRZSA-N
MW303.43 g/mol
LogP0.57
Rot. Bonds6

About (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide

(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide (PubChem CID 94811016) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide
PubChem CID94811016
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCCCN2CCCC2=O)C1
InChIInChI=1S/C13H25N3O3S/c1-12-5-2-10-16(11-12)20(18,19)14-7-4-9-15-8-3-6-13(15)17/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyIGMTUFCBFPVVRW-LBPRGKRZSA-N
XLogP0.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(sec-butyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3239200
1-(diethylsulfamoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 3482045
N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 4281760
N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5090998
1-(Piperidin-3-ylmethyl)pyrrolidin-2-one hydrochloride
CID 71778953
N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 156601508
1-(Piperidin-3-ylmethyl)pyrrolidin-2-one
CID 4712032
1-{[(S)-3-piperidyl]methyl}-2-pyrrolidinone
CID 7013510
3-[(Sulfamoylamino)methyl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 65715848
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 3280107
1-[(4-Methylpiperidin-1-YL)sulfonyl]-N-[3-(pyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 3366587
N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4072231

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide (CID 94811016) is (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)NCCCN2CCCC2=O)C1.
What is the InChIKey of (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is IGMTUFCBFPVVRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-12-5-2-10-16(11-12)20(18,19)14-7-4-9-15-8-3-6-13(15)17/h12,14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide?
(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 94811016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).