1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine

C12H18N2O2S — CID 116814541

IUPAC1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1N1CCCCS1(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-10(13)11-6-2-3-7-12(11)14-8-4-5-9-17(14,15)16/h2-3,6-7,10H,4-5,8-9,13H2,1H3
InChIKeyPXWOQSPNGSYDDY-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.64
Rot. Bonds2

About 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine

1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine (PubChem CID 116814541) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
PubChem CID116814541
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1N1CCCCS1(=O)=O
InChIInChI=1S/C12H18N2O2S/c1-10(13)11-6-2-3-7-12(11)14-8-4-5-9-17(14,15)16/h2-3,6-7,10H,4-5,8-9,13H2,1H3
InChIKeyPXWOQSPNGSYDDY-UHFFFAOYSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanol
CID 104549320
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
2-(2-fluorophenyl)thiazinane 1,1-dioxide
CID 82081518
2-(2-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 71683758
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
1-[2-[phenyl(piperidin-1-yl)methyl]phenyl]ethanamine
CID 67763745
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368754
2-(2,4-dimethylphenyl)thiazinane 1,1-dioxide
CID 82084355
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
(2S)-2-amino-N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]propanamide
CID 22689828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine (CID 116814541) is 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine is CC(N)c1ccccc1N1CCCCS1(=O)=O.
What is the InChIKey of 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine?
The InChIKey is PXWOQSPNGSYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10(13)11-6-2-3-7-12(11)14-8-4-5-9-17(14,15)16/h2-3,6-7,10H,4-5,8-9,13H2,1H3.
What are the key properties of 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine?
1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine has a molecular weight of 254.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine is sourced from PubChem (CID 116814541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).