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

C12H24N2O3S — CID 62560596

IUPACN-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCCC1CN(CCNC2CCS(=O)(=O)C2)CCO1
InChIInChI=1S/C12H24N2O3S/c1-2-12-9-14(6-7-17-12)5-4-13-11-3-8-18(15,16)10-11/h11-13H,2-10H2,1H3
InChIKeyWMBPMRSYVCHGEV-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.13
Rot. Bonds5

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

N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 62560596) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID62560596
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCCC1CN(CCNC2CCS(=O)(=O)C2)CCO1
InChIInChI=1S/C12H24N2O3S/c1-2-12-9-14(6-7-17-12)5-4-13-11-3-8-18(15,16)10-11/h11-13H,2-10H2,1H3
InChIKeyWMBPMRSYVCHGEV-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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 79165323
3-[2-(2-ethylmorpholin-4-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 80522139
1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
CID 62574345
N-(cyclopropylmethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 60866421
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 79925293
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[2-(2-ethylmorpholin-4-yl)ethyl]butan-2-amine
CID 60853221
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
2-(2-ethylmorpholin-4-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 62561719
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 107395631
2,4-diethylmorpholine
CID 58988021
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 62560596) is N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine is CCC1CN(CCNC2CCS(=O)(=O)C2)CCO1.
What is the InChIKey of N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is WMBPMRSYVCHGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-2-12-9-14(6-7-17-12)5-4-13-11-3-8-18(15,16)10-11/h11-13H,2-10H2,1H3.
What are the key properties of N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine 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 N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 62560596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).