4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide

C13H20N2O2S — CID 113475179

IUPAC4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-10(12-4-5-12)9-15-18(16,17)13-6-2-11(8-14)3-7-13/h2-3,6-7,10,12,15H,4-5,8-9,14H2,1H3
InChIKeyOMGGGGCWSYAGEE-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.47
Rot. Bonds6

About 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide

4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide (PubChem CID 113475179) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide
PubChem CID113475179
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-10(12-4-5-12)9-15-18(16,17)13-6-2-11(8-14)3-7-13/h2-3,6-7,10,12,15H,4-5,8-9,14H2,1H3
InChIKeyOMGGGGCWSYAGEE-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
5-(aminomethyl)-N-(2-cyclopropylpropyl)-4-methylthiophene-2-sulfonamide
CID 113476482
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
3-chloro-N-(2-cyclopropylpropyl)-4-(ethylaminomethyl)benzenesulfonamide
CID 107091649
4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide (CID 113475179) is 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(CN)cc1)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide?
The InChIKey is OMGGGGCWSYAGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(12-4-5-12)9-15-18(16,17)13-6-2-11(8-14)3-7-13/h2-3,6-7,10,12,15H,4-5,8-9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide?
4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide is sourced from PubChem (CID 113475179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).