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

C10H17ClNO2S- — CID 21179754

IUPAC3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESCC1CCCCN1C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C10H17NO2S.ClH/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;1H/p-1
InChIKeyIAGDVITWPNWGIY-UHFFFAOYSA-M
MW250.77 g/mol
LogP-1.82
Rot. Bonds1

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

3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride (PubChem CID 21179754) has the molecular formula C10H17ClNO2S- and a molecular weight of 250.77 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
PubChem CID21179754
Molecular FormulaC10H17ClNO2S-
Molecular Weight250.77 g/mol
Exact Mass250.07
IUPAC Name3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride
SMILESCC1CCCCN1C1C=CS(=O)(=O)C1.[Cl-]
InChIInChI=1S/C10H17NO2S.ClH/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;1H/p-1
InChIKeyIAGDVITWPNWGIY-UHFFFAOYSA-M
XLogP-1.82
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 ≤ 5-1.82
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
1-Hydroxy-4-piperidyl-4,5-dihydrothiophen-1-one
CID 3719780
4-Methyl-3-piperidin-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 10846361
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
(3R)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413791
(3S)-3-(azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 1413792
3-(Azepan-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 5072962
(3R)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983465
(3S)-3-piperidin-1-ium-1-yl-2,3-dihydrothiophene 1,1-dioxide
CID 6983466

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride (CID 21179754) is 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride is CC1CCCCN1C1C=CS(=O)(=O)C1.[Cl-].
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
The InChIKey is IAGDVITWPNWGIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO2S.ClH/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;1H/p-1.
What are the key properties of 3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride?
3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide chloride has a molecular weight of 250.77 g/mol, XLogP of -1.82, 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 chloride is sourced from PubChem (CID 21179754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).