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

C12H22N2O2S — CID 103812895

IUPACN-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC(O)CN1
InChIInChI=1S/C12H22N2O2S/c1-2-17-11-5-3-4-9(11)14-12(16)10-6-8(15)7-13-10/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyDUTDFBKTBRILIL-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.50
Rot. Bonds4

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

N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 103812895) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID103812895
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCSC1CCCC1NC(=O)C1CC(O)CN1
InChIInChI=1S/C12H22N2O2S/c1-2-17-11-5-3-4-9(11)14-12(16)10-6-8(15)7-13-10/h8-11,13,15H,2-7H2,1H3,(H,14,16)
InChIKeyDUTDFBKTBRILIL-UHFFFAOYSA-N
XLogP0.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylcyclopentyl)-4-methoxypyrrolidine-2-carboxamide
CID 103833311
N-(2-ethylsulfanylcyclopentyl)piperidine-2-carboxamide;hydrochloride
CID 119343690
N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103798035
N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 120607881
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119790639
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethylsulfanylcyclopentyl)acetamide
CID 103812899
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2R)-2-amino-N-(2-ethylsulfanylcyclopentyl)butanamide
CID 104878228

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide (CID 103812895) is N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide is CCSC1CCCC1NC(=O)C1CC(O)CN1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DUTDFBKTBRILIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-2-17-11-5-3-4-9(11)14-12(16)10-6-8(15)7-13-10/h8-11,13,15H,2-7H2,1H3,(H,14,16).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 103812895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).