3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

C10H17NO2S — CID 21179755

IUPAC3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCCCN1C1C=CS(=O)(=O)C1
InChIInChI=1S/C10H17NO2S/c1-9-4-2-3-6-11(9)10-5-7-14(12,13)8-10/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyQKVHZYOVLTVAMF-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.17
Rot. Bonds1

About 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 21179755) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID21179755
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCCCN1C1C=CS(=O)(=O)C1
InChIInChI=1S/C10H17NO2S/c1-9-4-2-3-6-11(9)10-5-7-14(12,13)8-10/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyQKVHZYOVLTVAMF-UHFFFAOYSA-N
XLogP1.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
CID 21179780
1-cyclohex-2-en-1-yl-2-methylpyrrolidine
CID 126995474
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926041
4-[(2R)-2-methylpiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129375560
4-(2-methylpyrrolidin-1-yl)cyclopent-2-ene-1-carboxylic acid
CID 79680066
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
CID 102734781
(3R,8aS)-3-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 14734985
4-(2-methylpiperidin-1-yl)cyclohexan-1-amine
CID 62807430
1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
CID 166650515
(1,1-dioxo-2,3-dihydrothiophen-3-yl)-dimethylazanium chloride
CID 21177635

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (CID 21179755) is 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is CC1CCCCN1C1C=CS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is QKVHZYOVLTVAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9-4-2-3-6-11(9)10-5-7-14(12,13)8-10/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 21179755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).