4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide

C16H26N2O2S — CID 61464027

IUPAC4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-12(2)13(3)18-21(19,20)16-9-5-14(6-10-16)11-17-15-7-8-15/h5-6,9-10,12-13,15,17-18H,4,7-8,11H2,1-3H3
InChIKeyOSNREGMAPDUTAR-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.65
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide

4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61464027) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID61464027
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-4-12(2)13(3)18-21(19,20)16-9-5-14(6-10-16)11-17-15-7-8-15/h5-6,9-10,12-13,15,17-18H,4,7-8,11H2,1-3H3
InChIKeyOSNREGMAPDUTAR-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)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

4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
2-[4-(3-methylpentan-2-ylsulfamoyl)phenyl]ethanethioamide
CID 79186045
4-acetyl-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61395312
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 60824035
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169
4-chloro-3-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030109
3-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030111

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 61464027) is 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is OSNREGMAPDUTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-12(2)13(3)18-21(19,20)16-9-5-14(6-10-16)11-17-15-7-8-15/h5-6,9-10,12-13,15,17-18H,4,7-8,11H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide?
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61464027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).