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

C13H20N2O2S — CID 63995414

IUPAC3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2S/c1-2-12(8-10-6-7-10)15-18(16,17)13-5-3-4-11(14)9-13/h3-5,9-10,12,15H,2,6-8,14H2,1H3
InChIKeyUNPJTBZOIHPNRQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.13
Rot. Bonds6

About 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide

3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide (PubChem CID 63995414) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
PubChem CID63995414
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C13H20N2O2S/c1-2-12(8-10-6-7-10)15-18(16,17)13-5-3-4-11(14)9-13/h3-5,9-10,12,15H,2,6-8,14H2,1H3
InChIKeyUNPJTBZOIHPNRQ-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

3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 104868507
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluorobenzenesulfonamide
CID 63996811
1-(3-aminophenyl)-N-(1-cyclopropylbutan-2-yl)methanesulfonamide
CID 63995025
3-amino-N-(1-cyclopropylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 63996216
3-(aminomethyl)-N-(1-cyclopropylbutan-2-yl)-4-ethylbenzenesulfonamide
CID 106063935
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
3-amino-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54950145
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325853
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide (CID 63995414) is 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide is CCC(CC1CC1)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
The InChIKey is UNPJTBZOIHPNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-12(8-10-6-7-10)15-18(16,17)13-5-3-4-11(14)9-13/h3-5,9-10,12,15H,2,6-8,14H2,1H3.
What are the key properties of 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide?
3-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 3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63995414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).