3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide

C12H23NO2S — CID 178125072

IUPAC3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
SMILESCC(C)C1CCN(C2(C)CS(=O)(=O)C2)CC1
InChIInChI=1S/C12H23NO2S/c1-10(2)11-4-6-13(7-5-11)12(3)8-16(14,15)9-12/h10-11H,4-9H2,1-3H3
InChIKeyIAIIEBHTJRWUOW-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.54
Rot. Bonds2

About 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide

3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide (PubChem CID 178125072) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
PubChem CID178125072
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
SMILESCC(C)C1CCN(C2(C)CS(=O)(=O)C2)CC1
InChIInChI=1S/C12H23NO2S/c1-10(2)11-4-6-13(7-5-11)12(3)8-16(14,15)9-12/h10-11H,4-9H2,1-3H3
InChIKeyIAIIEBHTJRWUOW-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-4-(trifluoromethylsulfonylmethyl)piperidine
CID 147954141
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125166
3-(3-Fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125547
3-(3-Fluoro-4-methylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125667
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide
CID 178125875
1-(3-Methyl-1-methylsulfonylbutan-2-yl)piperidine
CID 134992857
3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-1,1-dioxothietane-3-carbonitrile
CID 178125221
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
1-[1-(3-Methylbutylsulfonyl)pentan-2-yl]piperidine
CID 9860773
1,1,3-Trimethyl-5-(methylsulfonylmethyl)piperidin-1-ium
CID 20632595
4-Methyl-1-(2-methylsulfonylethyl)piperidine
CID 20752926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
The IUPAC name of 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide (CID 178125072) is 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide.
What is the SMILES notation for 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
The canonical SMILES for 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide is CC(C)C1CCN(C2(C)CS(=O)(=O)C2)CC1.
What is the InChIKey of 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
The InChIKey is IAIIEBHTJRWUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)11-4-6-13(7-5-11)12(3)8-16(14,15)9-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide?
3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide has a molecular weight of 245.39 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-propan-2-ylpiperidin-1-yl)thietane 1,1-dioxide is sourced from PubChem (CID 178125072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).