(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol

C9H19NOS — CID 106932899

IUPAC(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
SMILESCCC1CN(C[C@@H](C)O)CCS1
InChIInChI=1S/C9H19NOS/c1-3-9-7-10(4-5-12-9)6-8(2)11/h8-9,11H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyXYPCKLLJIGCHFH-VEDVMXKPSA-N
MW189.32 g/mol
LogP1.19
Rot. Bonds3

About (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol

(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol (PubChem CID 106932899) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
PubChem CID106932899
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
SMILESCCC1CN(C[C@@H](C)O)CCS1
InChIInChI=1S/C9H19NOS/c1-3-9-7-10(4-5-12-9)6-8(2)11/h8-9,11H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyXYPCKLLJIGCHFH-VEDVMXKPSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
CID 104696561
2-(2-ethylthiomorpholin-4-yl)-1-phenylethanol
CID 113246314
4-butyl-2-ethylthiomorpholine
CID 13356762
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
CID 115927904
6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
CID 103738012
1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 115666599
2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
CID 115666571
2-(2-ethylthiomorpholin-4-yl)-N'-hydroxyethanimidamide
CID 104874659
(2S)-2-ethyl-4-methylthiomorpholine
CID 143445778
9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
CID 105344286
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
1-(4-ethyl-3-propan-2-ylpiperazin-1-yl)propan-2-ol
CID 112546905

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol (CID 106932899) is (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol is CCC1CN(C[C@@H](C)O)CCS1.
What is the InChIKey of (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol?
The InChIKey is XYPCKLLJIGCHFH-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-9-7-10(4-5-12-9)6-8(2)11/h8-9,11H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol?
(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol has a molecular weight of 189.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol is sourced from PubChem (CID 106932899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).