3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide

C11H23N3O2S — CID 79685910

IUPAC3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N[C@H]2CCNC2)C1
InChIInChI=1S/C11H23N3O2S/c1-9-5-10(2)8-14(7-9)17(15,16)13-11-3-4-12-6-11/h9-13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyVMHHBCGUTJAYJP-ILDUYXDCSA-N
MW261.39 g/mol
LogP0.16
Rot. Bonds3

About 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide

3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide (PubChem CID 79685910) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
PubChem CID79685910
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N[C@H]2CCNC2)C1
InChIInChI=1S/C11H23N3O2S/c1-9-5-10(2)8-14(7-9)17(15,16)13-11-3-4-12-6-11/h9-13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyVMHHBCGUTJAYJP-ILDUYXDCSA-N
XLogP0.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43597415
N-pyrrolidin-3-ylazepane-1-sulfonamide;hydrochloride
CID 119966821
N-[(3S)-pyrrolidin-3-yl]morpholine-4-sulfonamide
CID 79685144
N-(3,5-dimethylcyclohexyl)piperazine-1-sulfonamide
CID 64733123
N-[(4S)-4-methoxypyrrolidin-3-yl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43597213
N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
(3R)-3-methyl-N-[(3R,4S)-3-methylpiperidin-4-yl]piperidine-1-sulfonamide
CID 129431135
N-(3-methylcyclopentyl)piperazine-1-sulfonamide
CID 114541483
4-methyl-N-(5-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 107585361
(3R)-3-(dimethylsulfamoylamino)pyrrolidine
CID 79685211
propane;N-pyrrolidin-3-ylmethanesulfonamide
CID 143474568

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide (CID 79685910) is 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)N[C@H]2CCNC2)C1.
What is the InChIKey of 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide?
The InChIKey is VMHHBCGUTJAYJP-ILDUYXDCSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-9-5-10(2)8-14(7-9)17(15,16)13-11-3-4-12-6-11/h9-13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide?
3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3S)-pyrrolidin-3-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 79685910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).