2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide

C13H20N2O2S — CID 63994606

IUPAC2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2S/c1-2-11(9-10-7-8-10)15-18(16,17)13-6-4-3-5-12(13)14/h3-6,10-11,15H,2,7-9,14H2,1H3
InChIKeyWCGGTVVPYBJZKU-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds6

About 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide

2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide (PubChem CID 63994606) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
PubChem CID63994606
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2S/c1-2-11(9-10-7-8-10)15-18(16,17)13-6-4-3-5-12(13)14/h3-6,10-11,15H,2,7-9,14H2,1H3
InChIKeyWCGGTVVPYBJZKU-UHFFFAOYSA-N
XLogP2.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.13
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-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63995591
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
2-amino-5-bromo-N-(1-cyclopropylbutan-2-yl)pyridine-3-sulfonamide
CID 63994409
3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 63996216
3-amino-2-methyl-N-pentan-3-ylbenzenesulfonamide
CID 29302571
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693054
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106063941
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325853
2-(sulfamoylamino)butylcyclopropane
CID 112690847

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide (CID 63994606) is 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The InChIKey is WCGGTVVPYBJZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-11(9-10-7-8-10)15-18(16,17)13-6-4-3-5-12(13)14/h3-6,10-11,15H,2,7-9,14H2,1H3.
What are the key properties of 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63994606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).