5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide

C12H18N2O3S — CID 79974645

IUPAC5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H18N2O3S/c1-8-6-11(17-2)12(7-10(8)13)18(15,16)14-9-4-3-5-9/h6-7,9,14H,3-5,13H2,1-2H3
InChIKeySIRPCPHZUKVVMB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.42
Rot. Bonds4

About 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide

5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide (PubChem CID 79974645) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
PubChem CID79974645
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C12H18N2O3S/c1-8-6-11(17-2)12(7-10(8)13)18(15,16)14-9-4-3-5-9/h6-7,9,14H,3-5,13H2,1-2H3
InChIKeySIRPCPHZUKVVMB-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-4-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103062286
5-amino-N-(3,3-dimethylcyclopentyl)-2-methoxy-4-methylbenzenesulfonamide
CID 114542964
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489
5-amino-N-(2-hydroxycyclohexyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79962251
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
5-amino-4-bromo-N-cyclopentyl-2-methylbenzenesulfonamide
CID 114624790
3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide (CID 79974645) is 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide?
The InChIKey is SIRPCPHZUKVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-6-11(17-2)12(7-10(8)13)18(15,16)14-9-4-3-5-9/h6-7,9,14H,3-5,13H2,1-2H3.
What are the key properties of 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide?
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 79974645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).