(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine

C12H18N2OS — CID 63368754

IUPAC(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1N1CCS(=O)CC1
InChIInChI=1S/C12H18N2OS/c1-10(13)11-4-2-3-5-12(11)14-6-8-16(15)9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m0/s1
InChIKeyOSBVLCYACKIUEJ-JTQLQIEISA-N
MW238.36 g/mol
LogP1.27
Rot. Bonds2

About (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine

(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine (PubChem CID 63368754) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
PubChem CID63368754
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccccc1N1CCS(=O)CC1
InChIInChI=1S/C12H18N2OS/c1-10(13)11-4-2-3-5-12(11)14-6-8-16(15)9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m0/s1
InChIKeyOSBVLCYACKIUEJ-JTQLQIEISA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
(1R)-1-[5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 63368739
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
(1S)-1-[2-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 78935250
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337
(1S)-1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 104921308
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 114538247
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 78934565
(1S)-1-[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 55216576

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine (CID 63368754) is (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine is C[C@H](N)c1ccccc1N1CCS(=O)CC1.
What is the InChIKey of (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
The InChIKey is OSBVLCYACKIUEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(13)11-4-2-3-5-12(11)14-6-8-16(15)9-7-14/h2-5,10H,6-9,13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine?
(1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1-oxo-1,4-thiazinan-4-yl)phenyl]ethanamine is sourced from PubChem (CID 63368754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).