3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide

C12H18N2O2S — CID 113498451

IUPAC3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCCCC2CC2)c1
InChIInChI=1S/C12H18N2O2S/c13-11-4-1-5-12(9-11)17(15,16)14-8-2-3-10-6-7-10/h1,4-5,9-10,14H,2-3,6-8,13H2
InChIKeyVGPWUXLMRUMVLJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.74
Rot. Bonds6

About 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide

3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide (PubChem CID 113498451) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
PubChem CID113498451
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NCCCC2CC2)c1
InChIInChI=1S/C12H18N2O2S/c13-11-4-1-5-12(9-11)17(15,16)14-8-2-3-10-6-7-10/h1,4-5,9-10,14H,2-3,6-8,13H2
InChIKeyVGPWUXLMRUMVLJ-UHFFFAOYSA-N
XLogP1.74
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-N-(3-cyclopropylpropyl)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

3-amino-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63983724
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
2-[(3-aminophenyl)sulfonylamino]ethylurea
CID 83116064
4-[(3-aminophenyl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 122126369
3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 113498468
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
methyl 3-[(3-aminophenyl)sulfonylamino]propanoate
CID 43665916
4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide (CID 113498451) is 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide is Nc1cccc(S(=O)(=O)NCCCC2CC2)c1.
What is the InChIKey of 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide?
The InChIKey is VGPWUXLMRUMVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c13-11-4-1-5-12(9-11)17(15,16)14-8-2-3-10-6-7-10/h1,4-5,9-10,14H,2-3,6-8,13H2.
What are the key properties of 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide?
3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-cyclopropylpropyl)benzenesulfonamide is sourced from PubChem (CID 113498451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).