4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine

C9H18N2O3S — CID 62691462

IUPAC4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CN(C2CS(=O)(=O)CC2N)CCO1
InChIInChI=1S/C9H18N2O3S/c1-7-4-11(2-3-14-7)9-6-15(12,13)5-8(9)10/h7-9H,2-6,10H2,1H3
InChIKeyVWSRIEZMHKEJTQ-UHFFFAOYSA-N
MW234.32 g/mol
LogP-1.17
Rot. Bonds1

About 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine

4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine (PubChem CID 62691462) has the molecular formula C9H18N2O3S and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine
PubChem CID62691462
Molecular FormulaC9H18N2O3S
Molecular Weight234.32 g/mol
Exact Mass234.10
IUPAC Name4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine
SMILESCC1CN(C2CS(=O)(=O)CC2N)CCO1
InChIInChI=1S/C9H18N2O3S/c1-7-4-11(2-3-14-7)9-6-15(12,13)5-8(9)10/h7-9H,2-6,10H2,1H3
InChIKeyVWSRIEZMHKEJTQ-UHFFFAOYSA-N
XLogP-1.17
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine (CID 62691462) is 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine is CC1CN(C2CS(=O)(=O)CC2N)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is VWSRIEZMHKEJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S/c1-7-4-11(2-3-14-7)9-6-15(12,13)5-8(9)10/h7-9H,2-6,10H2,1H3.
What are the key properties of 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine?
4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 234.32 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62691462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).