[(2S)-4-benzylthiomorpholin-2-yl]methanol

C12H17NOS — CID 130735305

IUPAC[(2S)-4-benzylthiomorpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)CCS1
InChIInChI=1S/C12H17NOS/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1
InChIKeyBYDCUAZQNDKGLN-LBPRGKRZSA-N
MW223.34 g/mol
LogP1.60
Rot. Bonds3

About [(2S)-4-benzylthiomorpholin-2-yl]methanol

[(2S)-4-benzylthiomorpholin-2-yl]methanol (PubChem CID 130735305) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [(2S)-4-benzylthiomorpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-benzylthiomorpholin-2-yl]methanol
PubChem CID130735305
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[(2S)-4-benzylthiomorpholin-2-yl]methanol
SMILESOC[C@@H]1CN(Cc2ccccc2)CCS1
InChIInChI=1S/C12H17NOS/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1
InChIKeyBYDCUAZQNDKGLN-LBPRGKRZSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-benzylthiomorpholine-2-carbonitrile
CID 124634714
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(4-benzyl-1,1-dioxo-1,4-thiazinan-2-yl)methanol
CID 130137485
2-ethyl-4-[(4-iodophenyl)methyl]thiomorpholine
CID 115666613
4-[(3-bromophenyl)methyl]-2-ethylthiomorpholine
CID 115666563
[(2S)-1-amino-4-benzylpiperazin-2-yl]methanol
CID 71157233
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
dideuterio-(1,4-dibenzylpiperazin-2-yl)methanol
CID 170598960
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzylthiomorpholin-2-yl]methanol?
The IUPAC name of [(2S)-4-benzylthiomorpholin-2-yl]methanol (CID 130735305) is [(2S)-4-benzylthiomorpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-benzylthiomorpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-benzylthiomorpholin-2-yl]methanol is OC[C@@H]1CN(Cc2ccccc2)CCS1.
What is the InChIKey of [(2S)-4-benzylthiomorpholin-2-yl]methanol?
The InChIKey is BYDCUAZQNDKGLN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NOS/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m0/s1.
What are the key properties of [(2S)-4-benzylthiomorpholin-2-yl]methanol?
[(2S)-4-benzylthiomorpholin-2-yl]methanol has a molecular weight of 223.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzylthiomorpholin-2-yl]methanol is sourced from PubChem (CID 130735305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).