N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O2S — CID 71870529

IUPACN-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCSC1CCC(N(C)C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C14H24N2O2S/c1-4-19-12-6-5-11(8-12)16(3)14(18)10-7-13(17)15(2)9-10/h10-12H,4-9H2,1-3H3
InChIKeyLDQQXMPTMDMRRW-UHFFFAOYSA-N
MW284.42 g/mol
LogP1.60
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide

N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 71870529) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID71870529
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCSC1CCC(N(C)C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C14H24N2O2S/c1-4-19-12-6-5-11(8-12)16(3)14(18)10-7-13(17)15(2)9-10/h10-12H,4-9H2,1-3H3
InChIKeyLDQQXMPTMDMRRW-UHFFFAOYSA-N
XLogP1.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide (CID 71870529) is N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is CCSC1CCC(N(C)C(=O)C2CC(=O)N(C)C2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LDQQXMPTMDMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-19-12-6-5-11(8-12)16(3)14(18)10-7-13(17)15(2)9-10/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide?
N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 284.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71870529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).