N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide

C9H21N3O2S — CID 15434369

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(CN)CC1
InChIInChI=1S/C9H21N3O2S/c1-15(13,14)11-4-7-12-5-2-9(8-10)3-6-12/h9,11H,2-8,10H2,1H3
InChIKeyWOWBWHAEKZIKSE-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.79
Rot. Bonds5

About N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide

N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 15434369) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID15434369
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCN1CCC(CN)CC1
InChIInChI=1S/C9H21N3O2S/c1-15(13,14)11-4-7-12-5-2-9(8-10)3-6-12/h9,11H,2-8,10H2,1H3
InChIKeyWOWBWHAEKZIKSE-UHFFFAOYSA-N
XLogP-0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide 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 N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide (CID 15434369) is N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCN1CCC(CN)CC1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WOWBWHAEKZIKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-15(13,14)11-4-7-12-5-2-9(8-10)3-6-12/h9,11H,2-8,10H2,1H3.
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 15434369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).