3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide

C12H26N2O2S — CID 134034359

IUPAC3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
SMILESCCC(CC)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H26N2O2S/c1-5-12(6-2)13-17(15,16)14-8-10(3)7-11(4)9-14/h10-13H,5-9H2,1-4H3
InChIKeyZTHZOSNVXGPDPE-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.99
Rot. Bonds5

About 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide

3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide (PubChem CID 134034359) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
PubChem CID134034359
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide
SMILESCCC(CC)NS(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H26N2O2S/c1-5-12(6-2)13-17(15,16)14-8-10(3)7-11(4)9-14/h10-13H,5-9H2,1-4H3
InChIKeyZTHZOSNVXGPDPE-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
CID 63888346
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-(1-hydroxybutan-2-yl)-2,6-dimethylmorpholine-4-sulfonamide
CID 43501588
N-(2-amino-1-cyclopropylethyl)-3,5-dimethylpiperidine-1-sulfonamide;hydrochloride
CID 119986760
N-(1-chlorobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 65033436
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148
N-(2-aminoethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 43603509
3,5-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-sulfonamide;hydrochloride
CID 119973056
N-butan-2-yl-2,6-dimethylmorpholine-4-sulfonamide
CID 42936366
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258297
3,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-1-sulfonamide
CID 103834061

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide (CID 134034359) is 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide is CCC(CC)NS(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide?
The InChIKey is ZTHZOSNVXGPDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-5-12(6-2)13-17(15,16)14-8-10(3)7-11(4)9-14/h10-13H,5-9H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide?
3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pentan-3-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 134034359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).