4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide

C11H25N3O2S — CID 114140369

IUPAC4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
SMILESCCCC(C)NS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-4-10(2)13-17(15,16)14-7-5-11(9-12)6-8-14/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUBOKZYPKGJQVEN-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds6

About 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide

4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide (PubChem CID 114140369) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
PubChem CID114140369
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
SMILESCCCC(C)NS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-4-10(2)13-17(15,16)14-7-5-11(9-12)6-8-14/h10-11,13H,3-9,12H2,1-2H3
InChIKeyUBOKZYPKGJQVEN-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-pentan-2-ylpiperidine-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

4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
4-(aminomethyl)-N-(4-methylpentyl)piperidine-1-sulfonamide
CID 106016881
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077690
4-(aminomethyl)-N-(2,3,3-trimethylbutyl)piperidine-1-sulfonamide
CID 83147300
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
4-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-sulfonamide
CID 106218488
N-(4-bromobutan-2-yl)-4-methylpiperidine-1-sulfonamide
CID 83178467
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
CID 106002812
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide (CID 114140369) is 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide is CCCC(C)NS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
The InChIKey is UBOKZYPKGJQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-4-10(2)13-17(15,16)14-7-5-11(9-12)6-8-14/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide?
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 114140369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).