(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide

C12H23N3O3S — CID 39992415

IUPAC(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCC(=O)N2CCCC2)C1
InChIInChI=1S/C12H23N3O3S/c1-11-5-4-8-15(10-11)19(17,18)13-9-12(16)14-6-2-3-7-14/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyAZWALQGZIOULHJ-NSHDSACASA-N
MW289.40 g/mol
LogP0.18
Rot. Bonds4

About (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide

(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide (PubChem CID 39992415) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
PubChem CID39992415
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
SMILESC[C@H]1CCCN(S(=O)(=O)NCC(=O)N2CCCC2)C1
InChIInChI=1S/C12H23N3O3S/c1-11-5-4-8-15(10-11)19(17,18)13-9-12(16)14-6-2-3-7-14/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyAZWALQGZIOULHJ-NSHDSACASA-N
XLogP0.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide with MolForge

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Related Compounds

methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
(3S)-N-(2-methoxyethyl)-3-methylpiperidine-1-sulfonamide
CID 94063829
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpiperidine-1-sulfonamide
CID 103835694

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide?
The IUPAC name of (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide (CID 39992415) is (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide.
What is the SMILES notation for (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide?
The canonical SMILES for (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide is C[C@H]1CCCN(S(=O)(=O)NCC(=O)N2CCCC2)C1.
What is the InChIKey of (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide?
The InChIKey is AZWALQGZIOULHJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-11-5-4-8-15(10-11)19(17,18)13-9-12(16)14-6-2-3-7-14/h11,13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide?
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 39992415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).