4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine

C11H22N2O3S — CID 102965731

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
SMILESCOC1CN(C2CS(=O)(=O)CC2N)CCC1C
InChIInChI=1S/C11H22N2O3S/c1-8-3-4-13(5-11(8)16-2)10-7-17(14,15)6-9(10)12/h8-11H,3-7,12H2,1-2H3
InChIKeySCHLLSJCXTTWIG-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.53
Rot. Bonds2

About 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine

4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine (PubChem CID 102965731) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
PubChem CID102965731
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
SMILESCOC1CN(C2CS(=O)(=O)CC2N)CCC1C
InChIInChI=1S/C11H22N2O3S/c1-8-3-4-13(5-11(8)16-2)10-7-17(14,15)6-9(10)12/h8-11H,3-7,12H2,1-2H3
InChIKeySCHLLSJCXTTWIG-UHFFFAOYSA-N
XLogP-0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
CID 62691466
4-(4-methylazepan-1-yl)-1,1-dioxothiolan-3-amine
CID 63624640
1-(4-amino-1,1-dioxothiolan-3-yl)-N,N-dimethylpiperidin-4-amine
CID 55108617
4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine
CID 62691462
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 102956549
2-(3-methoxy-4-methylpiperidin-1-yl)cyclooctan-1-ol
CID 102966062
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
1-(4-amino-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 55108616
4-(3,4-dimethoxypyrrolidin-1-yl)-1,1-dioxothiolan-3-ol
CID 103536907
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
1,1-dioxo-4-thiomorpholin-4-ylthiolan-3-amine
CID 62048962
4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 102957789

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine (CID 102965731) is 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine is COC1CN(C2CS(=O)(=O)CC2N)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is SCHLLSJCXTTWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8-3-4-13(5-11(8)16-2)10-7-17(14,15)6-9(10)12/h8-11H,3-7,12H2,1-2H3.
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine?
4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 102965731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).