3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine

C15H23NO2S — CID 64724868

IUPAC3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C15H23NO2S/c1-4-16-13-7-8-14(10-13)19(17,18)15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10H2,1-3H3
InChIKeyMHUGBJWPSFTWOH-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.61
Rot. Bonds4

About 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine

3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine (PubChem CID 64724868) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
PubChem CID64724868
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C15H23NO2S/c1-4-16-13-7-8-14(10-13)19(17,18)15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10H2,1-3H3
InChIKeyMHUGBJWPSFTWOH-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine (CID 64724868) is 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine is CCNC1CCC(S(=O)(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine?
The InChIKey is MHUGBJWPSFTWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-16-13-7-8-14(10-13)19(17,18)15-9-11(2)5-6-12(15)3/h5-6,9,13-14,16H,4,7-8,10H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine?
3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)sulfonyl-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 64724868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).