N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide

C15H22N2O2S — CID 106024752

IUPACN-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccccc1CNC1CC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,17-10-12-4-3-5-12)15-7-2-1-6-13(15)11-16-14-8-9-14/h1-2,6-7,12,14,16-17H,3-5,8-11H2
InChIKeyZPFGNSLHJLRWFG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.02
Rot. Bonds7

About N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide

N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide (PubChem CID 106024752) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
PubChem CID106024752
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCC1)c1ccccc1CNC1CC1
InChIInChI=1S/C15H22N2O2S/c18-20(19,17-10-12-4-3-5-12)15-7-2-1-6-13(15)11-16-14-8-9-14/h1-2,6-7,12,14,16-17H,3-5,8-11H2
InChIKeyZPFGNSLHJLRWFG-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063690
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
N-(cyclobutylmethyl)-3-[(cyclopropylamino)methyl]-4-fluorobenzenesulfonamide
CID 106024971
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-2-methylbenzenesulfonamide
CID 106024888
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
CID 43455192
2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
CID 106084170
2-(chloromethyl)-N-(2-cyclopentylethyl)benzenesulfonamide
CID 114264330

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide (CID 106024752) is N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide is O=S(=O)(NCC1CCC1)c1ccccc1CNC1CC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide?
The InChIKey is ZPFGNSLHJLRWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-20(19,17-10-12-4-3-5-12)15-7-2-1-6-13(15)11-16-14-8-9-14/h1-2,6-7,12,14,16-17H,3-5,8-11H2.
What are the key properties of N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide?
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106024752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).