2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C14H26N2OS — CID 103711399

IUPAC2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCSC1CCC(NC(C)C(=O)N2CCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-3-18-13-7-6-12(10-13)15-11(2)14(17)16-8-4-5-9-16/h11-13,15H,3-10H2,1-2H3
InChIKeyIMVWTCXVJXWHFZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.26
Rot. Bonds5

About 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 103711399) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID103711399
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCSC1CCC(NC(C)C(=O)N2CCCC2)C1
InChIInChI=1S/C14H26N2OS/c1-3-18-13-7-6-12(10-13)15-11(2)14(17)16-8-4-5-9-16/h11-13,15H,3-10H2,1-2H3
InChIKeyIMVWTCXVJXWHFZ-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 103711399) is 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CCSC1CCC(NC(C)C(=O)N2CCCC2)C1.
What is the InChIKey of 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IMVWTCXVJXWHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-3-18-13-7-6-12(10-13)15-11(2)14(17)16-8-4-5-9-16/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 270.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 103711399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).