4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide

C12H18N2O2S — CID 106997142

IUPAC4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H18N2O2S/c1-9-7-10(8-13)3-4-11(9)17(15,16)14-12(2)5-6-12/h3-4,7,14H,5-6,8,13H2,1-2H3
InChIKeyZFOKZSJLUPQESG-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.28
Rot. Bonds4

About 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide

4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 106997142) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID106997142
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C12H18N2O2S/c1-9-7-10(8-13)3-4-11(9)17(15,16)14-12(2)5-6-12/h3-4,7,14H,5-6,8,13H2,1-2H3
InChIKeyZFOKZSJLUPQESG-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
5-(hydroxymethyl)-2,3-dimethyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486161
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
4-(aminomethyl)-N-(cyclohexylmethyl)-2-methylbenzenesulfonamide
CID 106996679
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide (CID 106997142) is 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is ZFOKZSJLUPQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-7-10(8-13)3-4-11(9)17(15,16)14-12(2)5-6-12/h3-4,7,14H,5-6,8,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 106997142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).