4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol

C12H24N2O3S — CID 55175969

IUPAC4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol
SMILESCN1CCC(CN(C)C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C12H24N2O3S/c1-13-5-3-10(4-6-13)7-14(2)11-8-18(16,17)9-12(11)15/h10-12,15H,3-9H2,1-2H3
InChIKeyOGEOFUUEYLXYHH-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.58
Rot. Bonds3

About 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol

4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol (PubChem CID 55175969) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol
PubChem CID55175969
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol
SMILESCN1CCC(CN(C)C2CS(=O)(=O)CC2O)CC1
InChIInChI=1S/C12H24N2O3S/c1-13-5-3-10(4-6-13)7-14(2)11-8-18(16,17)9-12(11)15/h10-12,15H,3-9H2,1-2H3
InChIKeyOGEOFUUEYLXYHH-UHFFFAOYSA-N
XLogP-0.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol with MolForge

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Related Compounds

3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1,1-dioxothiolane-3,4-diamine
CID 63236844
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]azetidin-3-amine
CID 63236886
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 63234790
4-tert-butyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]cyclohexan-1-ol
CID 63236736
4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 115239845
(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
4-[(2-fluorophenyl)methyl-methylamino]-1,1-dioxothiolan-3-ol
CID 60665827
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methanethiol
CID 115228180

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol (CID 55175969) is 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol is CN1CCC(CN(C)C2CS(=O)(=O)CC2O)CC1.
What is the InChIKey of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol?
The InChIKey is OGEOFUUEYLXYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-13-5-3-10(4-6-13)7-14(2)11-8-18(16,17)9-12(11)15/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol?
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol has a molecular weight of 276.40 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 55175969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).