[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone

C14H23NO2S — CID 127758967

IUPAC[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
SMILESO=C(C1CCSC1)N1CCCC1C1CCOCC1
InChIInChI=1S/C14H23NO2S/c16-14(12-5-9-18-10-12)15-6-1-2-13(15)11-3-7-17-8-4-11/h11-13H,1-10H2
InChIKeyVTGMPAKZJUWPHB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.16
Rot. Bonds2

About [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone

[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone (PubChem CID 127758967) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
PubChem CID127758967
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone
SMILESO=C(C1CCSC1)N1CCCC1C1CCOCC1
InChIInChI=1S/C14H23NO2S/c16-14(12-5-9-18-10-12)15-6-1-2-13(15)11-3-7-17-8-4-11/h11-13H,1-10H2
InChIKeyVTGMPAKZJUWPHB-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
2-[1-(thiolane-3-carbonyl)piperidin-2-yl]cyclohexan-1-one
CID 79553717
2-bicyclo[2.2.2]octanyl-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 128521650
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
[2-(chloromethyl)azepan-1-yl]-(thiolan-3-yl)methanone
CID 116639039
5-[(2R)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 129470637
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
4-[(2S)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 129470732
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129430336
4-(2-cyclopentylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78983172

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
The IUPAC name of [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone (CID 127758967) is [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone.
What is the SMILES notation for [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
The canonical SMILES for [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone is O=C(C1CCSC1)N1CCCC1C1CCOCC1.
What is the InChIKey of [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
The InChIKey is VTGMPAKZJUWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c16-14(12-5-9-18-10-12)15-6-1-2-13(15)11-3-7-17-8-4-11/h11-13H,1-10H2.
What are the key properties of [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone?
[2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone has a molecular weight of 269.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-yl)pyrrolidin-1-yl]-(thiolan-3-yl)methanone is sourced from PubChem (CID 127758967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).