N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide

C13H18N2O2S — CID 60822263

IUPACN-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-12-5-6-12)13-7-1-10(2-8-13)9-14-11-3-4-11/h1-2,7-8,11-12,14-15H,3-6,9H2
InChIKeyOYOLTTDOTLBMNV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.38
Rot. Bonds6

About N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide

N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide (PubChem CID 60822263) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
PubChem CID60822263
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C13H18N2O2S/c16-18(17,15-12-5-6-12)13-7-1-10(2-8-13)9-14-11-3-4-11/h1-2,7-8,11-12,14-15H,3-6,9H2
InChIKeyOYOLTTDOTLBMNV-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
N-[(4-ethylsulfonylphenyl)methyl]cyclopropanamine
CID 71015787
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
CID 86338649
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]cyclopropanamine
CID 79178519
4-[(cyclopropylamino)methyl]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61464027
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 55846251
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-[(cyclopropylamino)methyl]-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 60821977

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide (CID 60822263) is N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(CNC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide?
The InChIKey is OYOLTTDOTLBMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-18(17,15-12-5-6-12)13-7-1-10(2-8-13)9-14-11-3-4-11/h1-2,7-8,11-12,14-15H,3-6,9H2.
What are the key properties of N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide?
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60822263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).