(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C14H23NO3S — CID 116560737

IUPAC(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCOC1CNC(C(=O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H23NO3S/c1-17-11-6-12(15-8-11)13(16)10-2-4-18-14(7-10)3-5-19-9-14/h10-12,15H,2-9H2,1H3
InChIKeyWDCFFEYMUTVDJD-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.23
Rot. Bonds3

About (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 116560737) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID116560737
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCOC1CNC(C(=O)C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H23NO3S/c1-17-11-6-12(15-8-11)13(16)10-2-4-18-14(7-10)3-5-19-9-14/h10-12,15H,2-9H2,1H3
InChIKeyWDCFFEYMUTVDJD-UHFFFAOYSA-N
XLogP1.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxypyrrolidin-2-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116560515
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
(1,1-dioxothiolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 113289668
1,4-dithian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79971334
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 114032513
methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate
CID 114450574

Frequently Asked Questions

What is the IUPAC name of (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 116560737) is (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is COC1CNC(C(=O)C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is WDCFFEYMUTVDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-17-11-6-12(15-8-11)13(16)10-2-4-18-14(7-10)3-5-19-9-14/h10-12,15H,2-9H2,1H3.
What are the key properties of (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 285.41 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 116560737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).