3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide

C14H22N2O3S — CID 63824236

IUPAC3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOC2CCCC2)cc1N
InChIInChI=1S/C14H22N2O3S/c1-11-6-7-13(10-14(11)15)20(17,18)16-8-9-19-12-4-2-3-5-12/h6-7,10,12,16H,2-5,8-9,15H2,1H3
InChIKeyUUAVHISYEXMKAX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds6

About 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide

3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide (PubChem CID 63824236) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
PubChem CID63824236
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCOC2CCCC2)cc1N
InChIInChI=1S/C14H22N2O3S/c1-11-6-7-13(10-14(11)15)20(17,18)16-8-9-19-12-4-2-3-5-12/h6-7,10,12,16H,2-5,8-9,15H2,1H3
InChIKeyUUAVHISYEXMKAX-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-cyclopentyloxyethyl)-4,5-dimethylbenzenesulfonamide
CID 63825119
2-amino-N-(2-cyclohexyloxyethyl)-6-methylbenzenesulfonamide
CID 63825126
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
4-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61061043
2-amino-N-(2-cyclopentyloxyethyl)pyrimidine-5-sulfonamide
CID 55260708
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
N-(2-cyclohexyloxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 63829030
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
2-bromo-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide
CID 61059078

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide (CID 63824236) is 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCOC2CCCC2)cc1N.
What is the InChIKey of 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is UUAVHISYEXMKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-6-7-13(10-14(11)15)20(17,18)16-8-9-19-12-4-2-3-5-12/h6-7,10,12,16H,2-5,8-9,15H2,1H3.
What are the key properties of 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide?
3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclopentyloxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 63824236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).