3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide

C12H18N2O2S — CID 54884408

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C12H18N2O2S/c1-14(9-10-5-6-10)17(15,16)12-4-2-3-11(7-12)8-13/h2-4,7,10H,5-6,8-9,13H2,1H3
InChIKeyFVXYIFHTUSIOML-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.18
Rot. Bonds5

About 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide

3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (PubChem CID 54884408) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
PubChem CID54884408
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C12H18N2O2S/c1-14(9-10-5-6-10)17(15,16)12-4-2-3-11(7-12)8-13/h2-4,7,10H,5-6,8-9,13H2,1H3
InChIKeyFVXYIFHTUSIOML-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 16794301
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
4-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 47291841
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
3-[methyl(oxan-4-ylmethyl)sulfamoyl]benzenecarbothioamide
CID 63706866
N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide (CID 54884408) is 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is FVXYIFHTUSIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(9-10-5-6-10)17(15,16)12-4-2-3-11(7-12)8-13/h2-4,7,10H,5-6,8-9,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide?
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54884408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).