2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine

C15H29NO2S — CID 79581739

IUPAC2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H29NO2S/c1-2-16-15-9-5-8-14(15)10-11-19(17,18)12-13-6-3-4-7-13/h13-16H,2-12H2,1H3
InChIKeyLNBLFMXAPSJICG-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine

2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine (PubChem CID 79581739) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
PubChem CID79581739
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCCC1CCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H29NO2S/c1-2-16-15-9-5-8-14(15)10-11-19(17,18)12-13-6-3-4-7-13/h13-16H,2-12H2,1H3
InChIKeyLNBLFMXAPSJICG-UHFFFAOYSA-N
XLogP2.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine (CID 79581739) is 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine is CCNC1CCCC1CCS(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine?
The InChIKey is LNBLFMXAPSJICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-2-16-15-9-5-8-14(15)10-11-19(17,18)12-13-6-3-4-7-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine?
2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylmethylsulfonyl)ethyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 79581739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).