(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone

C12H22N2OS — CID 142261867

IUPAC(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
SMILESN[C@H](C(=O)N1CCCSC1)C1CCCCC1
InChIInChI=1S/C12H22N2OS/c13-11(10-5-2-1-3-6-10)12(15)14-7-4-8-16-9-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKeyNXESNVZBENOPCG-NSHDSACASA-N
MW242.39 g/mol
LogP1.82
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone

(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone (PubChem CID 142261867) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
PubChem CID142261867
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
SMILESN[C@H](C(=O)N1CCCSC1)C1CCCCC1
InChIInChI=1S/C12H22N2OS/c13-11(10-5-2-1-3-6-10)12(15)14-7-4-8-16-9-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKeyNXESNVZBENOPCG-NSHDSACASA-N
XLogP1.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 75031187
2-amino-2-cyclohexyl-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 176578739
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
1,3-thiazinane-3-carboxylic acid
CID 154025198
(2S)-2-amino-2-cyclopentyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 87844260
(2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylic acid
CID 54342088
N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide
CID 10180664
[1-(2-amino-2-cyclopentylacetyl)pyrrolidin-3-yl]boronic acid
CID 16755147
4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 10224216
2-amino-2-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-1-(1,3-thiazolidin-3-yl)ethanone
CID 10273072
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone (CID 142261867) is (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone is N[C@H](C(=O)N1CCCSC1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone?
The InChIKey is NXESNVZBENOPCG-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2OS/c13-11(10-5-2-1-3-6-10)12(15)14-7-4-8-16-9-14/h10-11H,1-9,13H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone?
(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone has a molecular weight of 242.39 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 142261867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).