4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide

C13H20N2O2S — CID 61110862

IUPAC4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-15(12-5-6-12)18(16,17)13-7-3-11(14)4-8-13/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3
InChIKeyLBMCZPYADJGQJQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.08
Rot. Bonds5

About 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide

4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 61110862) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID61110862
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)9-15(12-5-6-12)18(16,17)13-7-3-11(14)4-8-13/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3
InChIKeyLBMCZPYADJGQJQ-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(2-methylpropyl)-4-nitrobenzenesulfonamide
CID 52568483
4-amino-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82844706
4-amino-2,6-dichloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61113304
N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 7260423
4-N-(1,1-dioxothiolan-3-yl)-4-N-(2-methylpropyl)benzene-1,4-disulfonamide
CID 18287287
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608
5-amino-N-cyclopropyl-2-fluoro-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 80646267
4-amino-N-(cyclopropylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 55001042
4-[S-[cyclopropyl(methyl)amino]-N-(2-methylpropyl)sulfonimidoyl]aniline
CID 165458773
5-amino-N-cyclopropyl-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61112746
3-amino-5-bromo-N-cyclopropyl-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114379068
N-cyclopentyl-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 78982767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide (CID 61110862) is 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is LBMCZPYADJGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)9-15(12-5-6-12)18(16,17)13-7-3-11(14)4-8-13/h3-4,7-8,10,12H,5-6,9,14H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide?
4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 61110862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).