4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride

C10H19ClNO3S- — CID 21179780

IUPAC4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
SMILESCC1CCCCN1C1CS(=O)(=O)CC1O.[Cl-]
InChIInChI=1S/C10H19NO3S.ClH/c1-8-4-2-3-5-11(8)9-6-15(13,14)7-10(9)12;/h8-10,12H,2-7H2,1H3;1H/p-1
InChIKeyVTFYISIUZRGNMM-UHFFFAOYSA-M
MW268.79 g/mol
LogP-2.98
Rot. Bonds1

About 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride

4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride (PubChem CID 21179780) has the molecular formula C10H19ClNO3S- and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
PubChem CID21179780
Molecular FormulaC10H19ClNO3S-
Molecular Weight268.79 g/mol
Exact Mass268.08
IUPAC Name4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
SMILESCC1CCCCN1C1CS(=O)(=O)CC1O.[Cl-]
InChIInChI=1S/C10H19NO3S.ClH/c1-8-4-2-3-5-11(8)9-6-15(13,14)7-10(9)12;/h8-10,12H,2-7H2,1H3;1H/p-1
InChIKeyVTFYISIUZRGNMM-UHFFFAOYSA-M
XLogP-2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 5-2.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 63855383
4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 114337919
methyl 2-[1-(4-hydroxy-1,1-dioxothiolan-3-yl)piperidin-2-yl]acetate
CID 62026194
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
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369286
3-(2-methylpiperidin-1-yl)-2,3-dihydrothiophene 1,1-dioxide
CID 21179755
4-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 63855136
4-(4-cyclopentylpiperazin-1-yl)-1,1-dioxothiolan-3-ol
CID 60968587
(3S,4S)-4-(aziridin-1-yl)-1,1-dioxothiolan-3-ol
CID 6357828
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
1,1-dioxo-4-(3-piperidin-1-ylpyrrolidin-1-yl)thiolan-3-ol
CID 63170950

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
The IUPAC name of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride (CID 21179780) is 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride is CC1CCCCN1C1CS(=O)(=O)CC1O.[Cl-].
What is the InChIKey of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
The InChIKey is VTFYISIUZRGNMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO3S.ClH/c1-8-4-2-3-5-11(8)9-6-15(13,14)7-10(9)12;/h8-10,12H,2-7H2,1H3;1H/p-1.
What are the key properties of 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride has a molecular weight of 268.79 g/mol, XLogP of -2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride is sourced from PubChem (CID 21179780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).