(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone

C12H22N2OS — CID 59996138

IUPAC(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone
SMILESN[C@H](C(=O)N1CCSCC1)C1CCCCC1
InChIInChI=1S/C12H22N2OS/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKeyLRJJXBYVQZXOCT-NSHDSACASA-N
MW242.39 g/mol
LogP1.47
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone

(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone (PubChem CID 59996138) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone
PubChem CID59996138
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone
SMILESN[C@H](C(=O)N1CCSCC1)C1CCCCC1
InChIInChI=1S/C12H22N2OS/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h10-11H,1-9,13H2/t11-/m0/s1
InChIKeyLRJJXBYVQZXOCT-NSHDSACASA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone (CID 59996138) is (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone is N[C@H](C(=O)N1CCSCC1)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone?
The InChIKey is LRJJXBYVQZXOCT-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2OS/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h10-11H,1-9,13H2/t11-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone?
(2S)-2-amino-2-cyclohexyl-1-thiomorpholin-4-ylethanone has a molecular weight of 242.39 g/mol, XLogP of 1.47, 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-thiomorpholin-4-ylethanone is sourced from PubChem (CID 59996138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).