3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide

C11H16N2O2S — CID 16794301

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C11H16N2O2S/c12-7-10-2-1-3-11(6-10)16(14,15)13-8-9-4-5-9/h1-3,6,9,13H,4-5,7-8,12H2
InChIKeyMFCPFQLOHXWYOH-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.83
Rot. Bonds5

About 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide

3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide (PubChem CID 16794301) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
PubChem CID16794301
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
SMILESNCc1cccc(S(=O)(=O)NCC2CC2)c1
InChIInChI=1S/C11H16N2O2S/c12-7-10-2-1-3-11(6-10)16(14,15)13-8-9-4-5-9/h1-3,6,9,13H,4-5,7-8,12H2
InChIKeyMFCPFQLOHXWYOH-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide 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

1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
3-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)benzenesulfonamide
CID 66407564
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
2-[[3-(aminomethyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 43568463
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
2-[[3-(aminomethyl)phenyl]sulfonylamino]ethylurea
CID 83116227
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
3-(cyclopentylmethylsulfamoyl)benzenesulfonyl chloride
CID 43371192

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide (CID 16794301) is 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide is NCc1cccc(S(=O)(=O)NCC2CC2)c1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
The InChIKey is MFCPFQLOHXWYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-7-10-2-1-3-11(6-10)16(14,15)13-8-9-4-5-9/h1-3,6,9,13H,4-5,7-8,12H2.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide?
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide is sourced from PubChem (CID 16794301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).