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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Related Compounds

4-(3-methylpyrrolidin-1-yl)-1,1-dioxothiolan-3-amine
CID 62691466
4-(3-methoxy-4-methylpiperidin-1-yl)-1,1-dioxothiolan-3-amine
CID 102965731
(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-amine
CID 7012261
[2-(2-methylmorpholin-4-yl)cyclobutyl]methanamine
CID 80998199
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-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,1-dioxothiolan-3-amine
CID 63189467
1,1-dioxo-4-[3-(trifluoromethyl)piperidin-1-yl]thiolan-3-amine
CID 62692740
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
(2R)-4-cyclopentyl-2-methylmorpholine
CID 131183036
1,1-dioxo-4-(1,4-thiazepan-4-yl)thiolan-3-amine
CID 62694304
N-[[2-(2-methylmorpholin-4-yl)cyclobutyl]methyl]ethanamine
CID 80998341

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).