4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide

C10H17NO2S — CID 10846361

IUPAC4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1=CS(=O)(=O)CC1N1CCCCC1
InChIInChI=1S/C10H17NO2S/c1-9-7-14(12,13)8-10(9)11-5-3-2-4-6-11/h7,10H,2-6,8H2,1H3
InChIKeyLLUOURMLYMKMFP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.17
Rot. Bonds1

About 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide

4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 10846361) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID10846361
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1=CS(=O)(=O)CC1N1CCCCC1
InChIInChI=1S/C10H17NO2S/c1-9-7-14(12,13)8-10(9)11-5-3-2-4-6-11/h7,10H,2-6,8H2,1H3
InChIKeyLLUOURMLYMKMFP-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

1-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)piperidine
CID 2831160
3-Piperidino-5-trimethylgermyl-2,3-dihydrothiophene 1,1-dioxide
CID 10615465
2-Ethenyl-1-hexyl-1-(3-methylsulfonylpropyl)piperidin-1-ium
CID 91805833
(3R)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380381
(3S)-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 1380382
(1,1-Dioxo-3-piperidin-1-yl-2-trimethylgermyl-2,3-dihydrothiophen-5-yl)-trimethylgermane
CID 10765301
(1,1-Dioxo-3-piperidin-1-yl-2,3-dihydrothiophen-5-yl)-trimethylsilane
CID 10826142
3-(Piperidin-1-ylmethyl)-2,5-dihydrothiophene 1,1-dioxide
CID 10846360
3-(4-Methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
CID 21179752
Piperidine, 1-(2,3-dihydro-1,1-dioxido-3-thienyl)-4-methyl-
CID 21179753
3-(2-Methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
CID 21179754
3-(2-Methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 21179755

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide (CID 10846361) is 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide is CC1=CS(=O)(=O)CC1N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is LLUOURMLYMKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9-7-14(12,13)8-10(9)11-5-3-2-4-6-11/h7,10H,2-6,8H2,1H3.
What are the key properties of 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide?
4-methyl-3-piperidin-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 4-methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 10846361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).