N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide

C13H30N2O2S — CID 62008059

IUPACN-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)C(CC)(CC)CN
InChIInChI=1S/C13H30N2O2S/c1-5-9-11-18(16,17)15(10-6-2)13(7-3,8-4)12-14/h5-12,14H2,1-4H3
InChIKeyMLQHYIZQOOHZEV-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.35
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide (PubChem CID 62008059) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide
PubChem CID62008059
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)C(CC)(CC)CN
InChIInChI=1S/C13H30N2O2S/c1-5-9-11-18(16,17)15(10-6-2)13(7-3,8-4)12-14/h5-12,14H2,1-4H3
InChIKeyMLQHYIZQOOHZEV-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-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 N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide (CID 62008059) is N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCC)C(CC)(CC)CN.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide?
The InChIKey is MLQHYIZQOOHZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-5-9-11-18(16,17)15(10-6-2)13(7-3,8-4)12-14/h5-12,14H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide has a molecular weight of 278.46 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 62008059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).