(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol

C10H19NO3S — CID 51406346

IUPAC(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1
InChIInChI=1S/C10H19NO3S/c1-8-2-4-11(5-3-8)9-6-15(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyYVCTZYMIADLSHD-ZJUUUORDSA-N
MW233.33 g/mol
LogP-0.12
Rot. Bonds1

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

(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol (PubChem CID 51406346) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
PubChem CID51406346
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1
InChIInChI=1S/C10H19NO3S/c1-8-2-4-11(5-3-8)9-6-15(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyYVCTZYMIADLSHD-ZJUUUORDSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol (CID 51406346) is (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol is CC1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1.
What is the InChIKey of (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is YVCTZYMIADLSHD-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8-2-4-11(5-3-8)9-6-15(13,14)7-10(9)12/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
(3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 233.33 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 51406346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).