N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide

C10H16N2O2S — CID 165395183

IUPACN-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccc(NS(C)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N2O2S/c1-7(2)8-4-5-10(9(11)6-8)12-15(3,13)14/h4-7,12H,11H2,1-3H3
InChIKeyRFZNDJOGEKCGSS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.76
Rot. Bonds3

About N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide

N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 165395183) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
PubChem CID165395183
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
SMILESCC(C)c1ccc(NS(C)(=O)=O)c(N)c1
InChIInChI=1S/C10H16N2O2S/c1-7(2)8-4-5-10(9(11)6-8)12-15(3,13)14/h4-7,12H,11H2,1-3H3
InChIKeyRFZNDJOGEKCGSS-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.76
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

methyl 3-amino-4-(methanesulfonamido)benzoate
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molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
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N-(4-chloro-2-propan-2-ylphenyl)methanesulfonamide
CID 58029497
N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide
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CID 158434444
N-(4-amino-9,10-dioxoanthracen-1-yl)methanesulfonamide
CID 139789292
4-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
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N-(4-amino-2-bromophenyl)methanesulfonamide;hydrochloride
CID 155858477
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
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CID 103144685

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide (CID 165395183) is N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide is CC(C)c1ccc(NS(C)(=O)=O)c(N)c1.
What is the InChIKey of N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is RFZNDJOGEKCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(2)8-4-5-10(9(11)6-8)12-15(3,13)14/h4-7,12H,11H2,1-3H3.
What are the key properties of N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide?
N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 165395183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).