N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide

C11H18N2O2S — CID 117358329

IUPACN-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
SMILESCC(N)Cc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-9(12)8-10-4-6-11(7-5-10)13(2)16(3,14)15/h4-7,9H,8,12H2,1-3H3
InChIKeySVMGVDNSOBVFDK-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.97
Rot. Bonds4

About N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide

N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 117358329) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
PubChem CID117358329
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide
SMILESCC(N)Cc1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-9(12)8-10-4-6-11(7-5-10)13(2)16(3,14)15/h4-7,9H,8,12H2,1-3H3
InChIKeySVMGVDNSOBVFDK-UHFFFAOYSA-N
XLogP0.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide 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-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide (CID 117358329) is N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide is CC(N)Cc1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is SVMGVDNSOBVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-9(12)8-10-4-6-11(7-5-10)13(2)16(3,14)15/h4-7,9H,8,12H2,1-3H3.
What are the key properties of N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide?
N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 117358329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).