(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

C16H27NO2S — CID 116614150

IUPAC(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESCC1(C(=O)C2CCOC3(CCSCC3)C2)CCCCN1
InChIInChI=1S/C16H27NO2S/c1-15(5-2-3-8-17-15)14(18)13-4-9-19-16(12-13)6-10-20-11-7-16/h13,17H,2-12H2,1H3
InChIKeyLOTXZWPZCKAAPB-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.78
Rot. Bonds2

About (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone

(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (PubChem CID 116614150) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
PubChem CID116614150
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
SMILESCC1(C(=O)C2CCOC3(CCSCC3)C2)CCCCN1
InChIInChI=1S/C16H27NO2S/c1-15(5-2-3-8-17-15)14(18)13-4-9-19-16(12-13)6-10-20-11-7-16/h13,17H,2-12H2,1H3
InChIKeyLOTXZWPZCKAAPB-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
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-hydroxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 103455117
1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-2-yl)methanone
CID 80622871
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
oxan-3-yl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79921446
2-cyclopentyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone
CID 115788317
2-methyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepane
CID 79912308
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
3-cyclohexyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 115788253
4-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pentan-1-one
CID 79913472

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone (CID 116614150) is (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is CC1(C(=O)C2CCOC3(CCSCC3)C2)CCCCN1.
What is the InChIKey of (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is LOTXZWPZCKAAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-15(5-2-3-8-17-15)14(18)13-4-9-19-16(12-13)6-10-20-11-7-16/h13,17H,2-12H2,1H3.
What are the key properties of (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone?
(2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 297.46 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 116614150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).