2-(1-methylpiperidin-4-yl)thiane 1-oxide

C11H21NOS — CID 154992714

IUPAC2-(1-methylpiperidin-4-yl)thiane 1-oxide
SMILESCN1CCC(C2CCCCS2=O)CC1
InChIInChI=1S/C11H21NOS/c1-12-7-5-10(6-8-12)11-4-2-3-9-14(11)13/h10-11H,2-9H2,1H3
InChIKeyCQTYDMBXKXZWLD-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.63
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)thiane 1-oxide

2-(1-methylpiperidin-4-yl)thiane 1-oxide (PubChem CID 154992714) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)thiane 1-oxide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)thiane 1-oxide
PubChem CID154992714
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(1-methylpiperidin-4-yl)thiane 1-oxide
SMILESCN1CCC(C2CCCCS2=O)CC1
InChIInChI=1S/C11H21NOS/c1-12-7-5-10(6-8-12)11-4-2-3-9-14(11)13/h10-11H,2-9H2,1H3
InChIKeyCQTYDMBXKXZWLD-UHFFFAOYSA-N
XLogP1.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;1-methyl-4-(1-methylpiperidin-4-yl)piperidine
CID 158947160
ethane;1-methyl-4-(1-methylpiperidin-4-yl)azepane
CID 143899908
cycloheptyl-(1-methylpiperidin-4-yl)methanone
CID 144802313
4-(1-methylpiperidin-4-yl)cyclohexan-1-ol
CID 58103882
(4R)-1,4,5-trimethylazepane
CID 89169089
2-methyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine
CID 130417829
(4aS,8aR)-1-(1-methylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100898605
1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine
CID 115277187
1-methylpiperidin-4-ol;nitric acid
CID 69230508
(4S)-1-methylazepan-4-ol
CID 29414429
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
1-methylpiperidin-4-ol;trihydrochloride
CID 142686130

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)thiane 1-oxide?
The IUPAC name of 2-(1-methylpiperidin-4-yl)thiane 1-oxide (CID 154992714) is 2-(1-methylpiperidin-4-yl)thiane 1-oxide.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)thiane 1-oxide?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)thiane 1-oxide is CN1CCC(C2CCCCS2=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)thiane 1-oxide?
The InChIKey is CQTYDMBXKXZWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-12-7-5-10(6-8-12)11-4-2-3-9-14(11)13/h10-11H,2-9H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)thiane 1-oxide?
2-(1-methylpiperidin-4-yl)thiane 1-oxide has a molecular weight of 215.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)thiane 1-oxide is sourced from PubChem (CID 154992714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).