N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide

C10H15NO2S — CID 138638906

IUPACN-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide
SMILESO=C(N[C@H]1CCSC1=O)C1CCCC1
InChIInChI=1S/C10H15NO2S/c12-9(7-3-1-2-4-7)11-8-5-6-14-10(8)13/h7-8H,1-6H2,(H,11,12)/t8-/m0/s1
InChIKeyWXPMSAXTHLTJJZ-QMMMGPOBSA-N
MW213.30 g/mol
LogP1.32
Rot. Bonds2

About N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide

N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide (PubChem CID 138638906) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide
PubChem CID138638906
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide
SMILESO=C(N[C@H]1CCSC1=O)C1CCCC1
InChIInChI=1S/C10H15NO2S/c12-9(7-3-1-2-4-7)11-8-5-6-14-10(8)13/h7-8H,1-6H2,(H,11,12)/t8-/m0/s1
InChIKeyWXPMSAXTHLTJJZ-QMMMGPOBSA-N
XLogP1.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-2-oxothiolan-3-yl]cyclohexanecarboxamide
CID 40569441
1,3-bis(2-oxothiolan-3-yl)urea
CID 110189672
1-cyclopentyl-5-oxo-N-(2-oxothiolan-3-yl)pyrrolidine-3-carboxamide
CID 17081354
(3R)-1-cyclopentyl-5-oxo-N-[(3S)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
CID 9364611
(3R)-1-cyclopentyl-5-oxo-N-[(3R)-2-oxothiolan-3-yl]pyrrolidine-3-carboxamide
CID 9364609
(3R)-5-oxo-N-[(3S)-2-oxothiolan-3-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400945
(3R)-1-(4-fluorobenzoyl)-N-[(3R)-2-oxothiolan-3-yl]piperidine-3-carboxamide
CID 94858015
2,2,2-trifluoro-N-(2-oxothiolan-3-yl)acetamide
CID 18877472
1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
CID 17081696
N-(2-oxothiolan-3-yl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 52992954
1-(dimethylamino)-3-(2-oxothiolan-3-yl)urea
CID 130010775
6-oxo-N-(2-oxothiolan-3-yl)-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573621

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide (CID 138638906) is N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide is O=C(N[C@H]1CCSC1=O)C1CCCC1.
What is the InChIKey of N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide?
The InChIKey is WXPMSAXTHLTJJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO2S/c12-9(7-3-1-2-4-7)11-8-5-6-14-10(8)13/h7-8H,1-6H2,(H,11,12)/t8-/m0/s1.
What are the key properties of N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide?
N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide has a molecular weight of 213.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxothiolan-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 138638906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).