N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide

C12H18N2O2S — CID 64988981

IUPACN-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CC2)c(C)c1N
InChIInChI=1S/C12H18N2O2S/c1-8-3-6-11(9(2)12(8)13)14-17(15,16)7-10-4-5-10/h3,6,10,14H,4-5,7,13H2,1-2H3
InChIKeyGFQJHRHWSUHUCX-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.04
Rot. Bonds4

About N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide

N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide (PubChem CID 64988981) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
PubChem CID64988981
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
SMILESCc1ccc(NS(=O)(=O)CC2CC2)c(C)c1N
InChIInChI=1S/C12H18N2O2S/c1-8-3-6-11(9(2)12(8)13)14-17(15,16)7-10-4-5-10/h3,6,10,14H,4-5,7,13H2,1-2H3
InChIKeyGFQJHRHWSUHUCX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide (CID 64988981) is N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide is Cc1ccc(NS(=O)(=O)CC2CC2)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide?
The InChIKey is GFQJHRHWSUHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-3-6-11(9(2)12(8)13)14-17(15,16)7-10-4-5-10/h3,6,10,14H,4-5,7,13H2,1-2H3.
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide?
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 64988981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).