N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide

C13H24N2O2S — CID 103833311

IUPACN-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H24N2O2S/c1-3-18-12-6-4-5-10(12)15-13(16)11-7-9(17-2)8-14-11/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyQIIDJQOBGUNYLH-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.15
Rot. Bonds5

About N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide

N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide (PubChem CID 103833311) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
PubChem CID103833311
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H24N2O2S/c1-3-18-12-6-4-5-10(12)15-13(16)11-7-9(17-2)8-14-11/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyQIIDJQOBGUNYLH-UHFFFAOYSA-N
XLogP1.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103812895
N-(2-ethylcyclohexyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213322
N-(2-ethylcyclopropyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833117
N-(2-ethylsulfanylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119343690
(2R,4S)-4-methoxy-N-(2-methylcyclopropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 130978968
N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103798035
N-(2-imidazol-1-ylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215361
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
4-[(4-methoxypyrrolidine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239535
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
N-(2-ethylsulfanylcyclopentyl)-3-methoxycyclohexan-1-amine
CID 114121380

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide (CID 103833311) is N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide is CCSC1CCCC1NC(=O)C1CC(OC)CN1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is QIIDJQOBGUNYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-3-18-12-6-4-5-10(12)15-13(16)11-7-9(17-2)8-14-11/h9-12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide?
N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103833311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).