N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide

C12H18N2O2S — CID 112746873

IUPACN-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)CCC1CC1
InChIInChI=1S/C12H18N2O2S/c1-9-2-5-11(13)8-12(9)14-17(15,16)7-6-10-3-4-10/h2,5,8,10,14H,3-4,6-7,13H2,1H3
InChIKeyRCLBKRUVAOJZBH-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.12
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide

N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide (PubChem CID 112746873) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide
PubChem CID112746873
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)CCC1CC1
InChIInChI=1S/C12H18N2O2S/c1-9-2-5-11(13)8-12(9)14-17(15,16)7-6-10-3-4-10/h2,5,8,10,14H,3-4,6-7,13H2,1H3
InChIKeyRCLBKRUVAOJZBH-UHFFFAOYSA-N
XLogP2.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82839900
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
CID 64988981
4-methyl-3-N-(4-propylcyclohexyl)benzene-1,3-diamine
CID 55091365
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
N-(5-amino-2-methylphenyl)-1-methylcyclopropane-1-sulfonamide
CID 129046716
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 62871000
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
N-(4-amino-2-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 63245426

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide (CID 112746873) is N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide is Cc1ccc(N)cc1NS(=O)(=O)CCC1CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide?
The InChIKey is RCLBKRUVAOJZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-2-5-11(13)8-12(9)14-17(15,16)7-6-10-3-4-10/h2,5,8,10,14H,3-4,6-7,13H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide?
N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide is sourced from PubChem (CID 112746873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).