3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

C10H17NO2S — CID 21179753

IUPAC3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCN(C2C=CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H17NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyYKWXTSJTKCRIPA-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.03
Rot. Bonds1

About 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide

3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 21179753) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
PubChem CID21179753
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1CCN(C2C=CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H17NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h4,7,9-10H,2-3,5-6,8H2,1H3
InChIKeyYKWXTSJTKCRIPA-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide (CID 21179753) is 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is CC1CCN(C2C=CS(=O)(=O)C2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is YKWXTSJTKCRIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-9-2-5-11(6-3-9)10-4-7-14(12,13)8-10/h4,7,9-10H,2-3,5-6,8H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide?
3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 215.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 21179753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).