5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide

C14H22N2O2S — CID 43266863

IUPAC5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-11-8-9-12(15)10-14(11)19(17,18)16(2)13-6-4-5-7-13/h8-10,13H,3-7,15H2,1-2H3
InChIKeyFMADHRGJNHAGAF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.39
Rot. Bonds4

About 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide

5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide (PubChem CID 43266863) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
PubChem CID43266863
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)C1CCCC1
InChIInChI=1S/C14H22N2O2S/c1-3-11-8-9-12(15)10-14(11)19(17,18)16(2)13-6-4-5-7-13/h8-10,13H,3-7,15H2,1-2H3
InChIKeyFMADHRGJNHAGAF-UHFFFAOYSA-N
XLogP2.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide (CID 43266863) is 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(C)C1CCCC1.
What is the InChIKey of 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide?
The InChIKey is FMADHRGJNHAGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-11-8-9-12(15)10-14(11)19(17,18)16(2)13-6-4-5-7-13/h8-10,13H,3-7,15H2,1-2H3.
What are the key properties of 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide?
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43266863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).