1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine

C14H22N2O2S — CID 65295071

IUPAC1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-3-15-12(2)13-5-4-6-14(11-13)16-7-9-19(17,18)10-8-16/h4-6,11-12,15H,3,7-10H2,1-2H3
InChIKeyMEIUGMPJTFQZQM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds4

About 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine

1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine (PubChem CID 65295071) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
PubChem CID65295071
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(N2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C14H22N2O2S/c1-3-15-12(2)13-5-4-6-14(11-13)16-7-9-19(17,18)10-8-16/h4-6,11-12,15H,3,7-10H2,1-2H3
InChIKeyMEIUGMPJTFQZQM-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[3-(3-propan-2-ylazetidin-1-yl)phenyl]ethanamine
CID 79678083
2-[3-[1-(ethylamino)ethyl]phenyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79876298
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(5-methylhexan-2-yl)aniline
CID 86795940
N-[(1R)-1-[3-(4-methylpiperazin-1-yl)phenyl]ethyl]propanamide
CID 175743962
N-[1-[3-(1,1-dioxothiazinan-2-yl)phenyl]ethyl]propan-1-amine
CID 116814547
1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-5-fluorophenyl]-N-ethylethanamine
CID 43581580
3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
CID 103124633
1-[3-(1,1-dioxothiolan-3-yl)sulfanylphenyl]-N-ethylethanamine
CID 64664867
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119863681
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine (CID 65295071) is 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(N2CCS(=O)(=O)CC2)c1.
What is the InChIKey of 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine?
The InChIKey is MEIUGMPJTFQZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-15-12(2)13-5-4-6-14(11-13)16-7-9-19(17,18)10-8-16/h4-6,11-12,15H,3,7-10H2,1-2H3.
What are the key properties of 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine?
1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine has a molecular weight of 282.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 65295071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).