4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide

C13H20N2O2S — CID 114110390

IUPAC4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C2CC2)ccc1N
InChIInChI=1S/C13H20N2O2S/c1-9-8-11(6-7-12(9)14)18(16,17)15-13(2,3)10-4-5-10/h6-8,10,15H,4-5,14H2,1-3H3
InChIKeyUMSPJMKFYWWUNX-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.04
Rot. Bonds4

About 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide

4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide (PubChem CID 114110390) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
PubChem CID114110390
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)(C)C2CC2)ccc1N
InChIInChI=1S/C13H20N2O2S/c1-9-8-11(6-7-12(9)14)18(16,17)15-13(2,3)10-4-5-10/h6-8,10,15H,4-5,14H2,1-3H3
InChIKeyUMSPJMKFYWWUNX-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.04
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-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
5-bromo-N-(2-cyclopropylpropan-2-yl)pyridine-3-sulfonamide
CID 103697703
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
1-N-(2-cyclopropylpropan-2-yl)-4-methylsulfonylbenzene-1,2-diamine
CID 114110446
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
3-[(4-amino-3-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274847
N-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 103697702
4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide (CID 114110390) is 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)(C)C2CC2)ccc1N.
What is the InChIKey of 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is UMSPJMKFYWWUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-8-11(6-7-12(9)14)18(16,17)15-13(2,3)10-4-5-10/h6-8,10,15H,4-5,14H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide?
4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 114110390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).