2-amino-N-cyclopropyl-6-methylbenzenesulfonamide

C10H14N2O2S — CID 43452334

IUPAC2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H14N2O2S/c1-7-3-2-4-9(11)10(7)15(13,14)12-8-5-6-8/h2-4,8,12H,5-6,11H2,1H3
InChIKeyZBGZQPQMKQZOGW-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.02
Rot. Bonds3

About 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide

2-amino-N-cyclopropyl-6-methylbenzenesulfonamide (PubChem CID 43452334) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
PubChem CID43452334
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H14N2O2S/c1-7-3-2-4-9(11)10(7)15(13,14)12-8-5-6-8/h2-4,8,12H,5-6,11H2,1H3
InChIKeyZBGZQPQMKQZOGW-UHFFFAOYSA-N
XLogP1.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.02
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

2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
CID 61466874
2-amino-6-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62397102
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178
3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
2-amino-N',N',6-trimethylbenzenesulfonohydrazide
CID 83013451
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
N-cyclopentyl-2-methyl-6-nitrobenzenesulfonamide
CID 47315253
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide (CID 43452334) is 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NC1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide?
The InChIKey is ZBGZQPQMKQZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-3-2-4-9(11)10(7)15(13,14)12-8-5-6-8/h2-4,8,12H,5-6,11H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide?
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide has a molecular weight of 226.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-6-methylbenzenesulfonamide is sourced from PubChem (CID 43452334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).