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

C10H19ClNO3S- — CID 21179779

IUPAC4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
SMILESCC1CCN(C2CS(=O)(=O)CC2O)CC1.[Cl-]
InChIInChI=1S/C10H19NO3S.ClH/c1-8-2-4-11(5-3-8)9-6-15(13,14)7-10(9)12;/h8-10,12H,2-7H2,1H3;1H/p-1
InChIKeyCWRCUQQOHDUWOM-UHFFFAOYSA-M
MW268.79 g/mol
LogP-3.12
Rot. Bonds1

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

4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride (PubChem CID 21179779) has the molecular formula C10H19ClNO3S- and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
PubChem CID21179779
Molecular FormulaC10H19ClNO3S-
Molecular Weight268.79 g/mol
Exact Mass268.08
IUPAC Name4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride
SMILESCC1CCN(C2CS(=O)(=O)CC2O)CC1.[Cl-]
InChIInChI=1S/C10H19NO3S.ClH/c1-8-2-4-11(5-3-8)9-6-15(13,14)7-10(9)12;/h8-10,12H,2-7H2,1H3;1H/p-1
InChIKeyCWRCUQQOHDUWOM-UHFFFAOYSA-M
XLogP-3.12
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 ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride (CID 21179779) is 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride is CC1CCN(C2CS(=O)(=O)CC2O)CC1.[Cl-].
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
The InChIKey is CWRCUQQOHDUWOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19NO3S.ClH/c1-8-2-4-11(5-3-8)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-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride?
4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride has a molecular weight of 268.79 g/mol, XLogP of -3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol chloride is sourced from PubChem (CID 21179779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).