2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine

C12H25NO2S — CID 61382099

IUPAC2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)CC
InChIInChI=1S/C12H25NO2S/c1-3-9-13-12-7-5-6-11(12)8-10-16(14,15)4-2/h11-13H,3-10H2,1-2H3
InChIKeyZTFFZVJUKSMGBA-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.98
Rot. Bonds7

About 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine

2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine (PubChem CID 61382099) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
PubChem CID61382099
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCS(=O)(=O)CC
InChIInChI=1S/C12H25NO2S/c1-3-9-13-12-7-5-6-11(12)8-10-16(14,15)4-2/h11-13H,3-10H2,1-2H3
InChIKeyZTFFZVJUKSMGBA-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine (CID 61382099) is 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCS(=O)(=O)CC.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine?
The InChIKey is ZTFFZVJUKSMGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-9-13-12-7-5-6-11(12)8-10-16(14,15)4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine?
2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine has a molecular weight of 247.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 61382099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).