2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide

C12H18N2O3S — CID 63294178

IUPAC2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-8-3-2-4-10(13)12(8)18(16,17)14-7-11(15)9-5-6-9/h2-4,9,11,14-15H,5-7,13H2,1H3
InChIKeyMOMIEUUFIXRRMO-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.63
Rot. Bonds5

About 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide

2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide (PubChem CID 63294178) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
PubChem CID63294178
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCC(O)C1CC1
InChIInChI=1S/C12H18N2O3S/c1-8-3-2-4-10(13)12(8)18(16,17)14-7-11(15)9-5-6-9/h2-4,9,11,14-15H,5-7,13H2,1H3
InChIKeyMOMIEUUFIXRRMO-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574
2-amino-6-methyl-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411164
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
2-amino-N-(3-cyclopentylpropyl)-6-methylbenzenesulfonamide
CID 106006663
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylacetamide
CID 43452561
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
2-amino-N-(4-ethylcyclohexyl)-6-methylbenzenesulfonamide
CID 61466874
2-amino-N-(6-hydroxyhexyl)-6-methylbenzenesulfonamide
CID 107843459

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide (CID 63294178) is 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCC(O)C1CC1.
What is the InChIKey of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide?
The InChIKey is MOMIEUUFIXRRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-3-2-4-10(13)12(8)18(16,17)14-7-11(15)9-5-6-9/h2-4,9,11,14-15H,5-7,13H2,1H3.
What are the key properties of 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide?
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 63294178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).