1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine

C12H24N2O3S — CID 81040945

IUPAC1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine
SMILESCCN1CCOC(CNCC2CCCS2(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-2-14-5-6-17-11(10-14)8-13-9-12-4-3-7-18(12,15)16/h11-13H,2-10H2,1H3
InChIKeyBOFFUYLXDQDSRM-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.13
Rot. Bonds5

About 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine

1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine (PubChem CID 81040945) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine
PubChem CID81040945
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine
SMILESCCN1CCOC(CNCC2CCCS2(=O)=O)C1
InChIInChI=1S/C12H24N2O3S/c1-2-14-5-6-17-11(10-14)8-13-9-12-4-3-7-18(12,15)16/h11-13H,2-10H2,1H3
InChIKeyBOFFUYLXDQDSRM-UHFFFAOYSA-N
XLogP-0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine with MolForge

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79165323
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106128851
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(1,1-dioxothiolan-2-yl)methyl]ethanamine
CID 81039627
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 79165540
N-[(4-ethylmorpholin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 79164409
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
2-cyclopentyloxy-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79164427
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 79164858

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine (CID 81040945) is 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine is CCN1CCOC(CNCC2CCCS2(=O)=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine?
The InChIKey is BOFFUYLXDQDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-14-5-6-17-11(10-14)8-13-9-12-4-3-7-18(12,15)16/h11-13H,2-10H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine?
1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine has a molecular weight of 276.40 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine is sourced from PubChem (CID 81040945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).