2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide

C12H25N3O2S — CID 43210863

IUPAC2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-2-3-8-15(11)18(16,17)14-10-12-6-4-7-13-9-12/h11-14H,2-10H2,1H3
InChIKeyIIBSTUAPZQCWKA-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.69
Rot. Bonds4

About 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide

2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide (PubChem CID 43210863) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
PubChem CID43210863
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-2-3-8-15(11)18(16,17)14-10-12-6-4-7-13-9-12/h11-14H,2-10H2,1H3
InChIKeyIIBSTUAPZQCWKA-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(piperidin-3-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide (CID 43210863) is 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCC1CCCNC1.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is IIBSTUAPZQCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-5-2-3-8-15(11)18(16,17)14-10-12-6-4-7-13-9-12/h11-14H,2-10H2,1H3.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide?
2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 43210863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).