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

C10H17ClNO2S- — CID 21179752

IUPAC3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESCC1CCN(C2C=CS(=O)(=O)C2)CC1.[Cl-]
InChIInChI=1S/C10H17NO2S.ClH/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;1H/p-1
InChIKeyGUVBUWODYANYIE-UHFFFAOYSA-M
MW250.77 g/mol
LogP-1.97
Rot. Bonds1

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

3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride (PubChem CID 21179752) has the molecular formula C10H17ClNO2S- and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
PubChem CID21179752
Molecular FormulaC10H17ClNO2S-
Molecular Weight250.77 g/mol
Exact Mass250.07
IUPAC Name3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESCC1CCN(C2C=CS(=O)(=O)C2)CC1.[Cl-]
InChIInChI=1S/C10H17NO2S.ClH/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;1H/p-1
InChIKeyGUVBUWODYANYIE-UHFFFAOYSA-M
XLogP-1.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 5-1.97
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 chloride?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride (CID 21179752) is 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride is CC1CCN(C2C=CS(=O)(=O)C2)CC1.[Cl-].
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The InChIKey is GUVBUWODYANYIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO2S.ClH/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;1H/p-1.
What are the key properties of 3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
3-(4-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride has a molecular weight of 250.77 g/mol, XLogP of -1.97, 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 chloride is sourced from PubChem (CID 21179752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).