3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide

C14H22N2O2S — CID 43540763

IUPAC3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C14H22N2O2S/c1-3-16(13-6-4-5-7-13)19(17,18)14-9-11(2)8-12(15)10-14/h8-10,13H,3-7,15H2,1-2H3
InChIKeyPUEIYISQZHEKEU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.53
Rot. Bonds4

About 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide

3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide (PubChem CID 43540763) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
PubChem CID43540763
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide
SMILESCCN(C1CCCC1)S(=O)(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C14H22N2O2S/c1-3-16(13-6-4-5-7-13)19(17,18)14-9-11(2)8-12(15)10-14/h8-10,13H,3-7,15H2,1-2H3
InChIKeyPUEIYISQZHEKEU-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopentyl-5-methyl-N-prop-2-enylbenzenesulfonamide
CID 61115680
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252
3-amino-N-cyclopropyl-N,5-dimethylbenzenesulfonamide
CID 43264620
3-amino-N-ethyl-N,5-dimethylbenzenesulfonamide
CID 43263056
3-amino-4-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43096949
N-cyclopentyl-N-ethyl-4-ethylsulfonylbenzenesulfonamide
CID 87024719
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020
5-amino-4-bromo-N-cyclopentyl-N-ethyl-2-methylbenzenesulfonamide
CID 114625120
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 55001335
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide (CID 43540763) is 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide is CCN(C1CCCC1)S(=O)(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide?
The InChIKey is PUEIYISQZHEKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-16(13-6-4-5-7-13)19(17,18)14-9-11(2)8-12(15)10-14/h8-10,13H,3-7,15H2,1-2H3.
What are the key properties of 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide?
3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-ethyl-5-methylbenzenesulfonamide is sourced from PubChem (CID 43540763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).