N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine

C11H22N2O3S — CID 79165323

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN1CCOC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-2-13-4-5-16-11(8-13)7-12-10-3-6-17(14,15)9-10/h10-12H,2-9H2,1H3
InChIKeyZRMUCITXMBIQQO-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.52
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine

N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine (PubChem CID 79165323) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
PubChem CID79165323
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
SMILESCCN1CCOC(CNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H22N2O3S/c1-2-13-4-5-16-11(8-13)7-12-10-3-6-17(14,15)9-10/h10-12H,2-9H2,1H3
InChIKeyZRMUCITXMBIQQO-UHFFFAOYSA-N
XLogP-0.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62560596
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 79165540
1-(1,1-dioxothiolan-2-yl)-N-[(4-ethylmorpholin-2-yl)methyl]methanamine
CID 81040945
1-[4-[(4-ethylmorpholin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 115616612
1,1-dioxo-N-(oxolan-2-ylmethyl)thiolan-3-amine;hydrochloride
CID 2980201
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931828
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxycyclopentan-1-amine
CID 114117973
N-[(4-ethylmorpholin-2-yl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113353974
N-[(4-ethylmorpholin-2-yl)methyl]-2-methylcyclohexan-1-amine
CID 79164409
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-[(4-ethylmorpholin-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 79164858
trans-(1S,2S)-2-[(4-ethylmorpholin-2-yl)methylamino]cyclohexan-1-ol
CID 102731765

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine (CID 79165323) is N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine is CCN1CCOC(CNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine?
The InChIKey is ZRMUCITXMBIQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-13-4-5-16-11(8-13)7-12-10-3-6-17(14,15)9-10/h10-12H,2-9H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine has a molecular weight of 262.37 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 79165323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).