(2S)-2-ethyl-4-methylthiomorpholine

C7H15NS — CID 143445778

IUPAC(2S)-2-ethyl-4-methylthiomorpholine
SMILESCC[C@H]1CN(C)CCS1
InChIInChI=1S/C7H15NS/c1-3-7-6-8(2)4-5-9-7/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyROITUTPJJMSRAS-ZETCQYMHSA-N
MW145.27 g/mol
LogP1.44
Rot. Bonds1

About (2S)-2-ethyl-4-methylthiomorpholine

(2S)-2-ethyl-4-methylthiomorpholine (PubChem CID 143445778) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (2S)-2-ethyl-4-methylthiomorpholine.

Molecular Properties

Compound Name(2S)-2-ethyl-4-methylthiomorpholine
PubChem CID143445778
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(2S)-2-ethyl-4-methylthiomorpholine
SMILESCC[C@H]1CN(C)CCS1
InChIInChI=1S/C7H15NS/c1-3-7-6-8(2)4-5-9-7/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyROITUTPJJMSRAS-ZETCQYMHSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-2-ethylthiomorpholine
CID 13356762
2-(4-methylthiomorpholin-2-yl)acetamide
CID 170615962
2-ethylthiomorpholine-4-carbaldehyde
CID 19848473
1-(2-ethylthiomorpholin-4-yl)ethanone
CID 115661648
9-(2-ethylthiomorpholin-4-yl)nonane-1-thiol
CID 105344286
6-(2-ethylthiomorpholin-4-yl)hexan-1-ol
CID 103738012
2-ethylthiomorpholine-4-sulfinic acid
CID 89262146
(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
CID 106932899
2-ethyl-N-methylthiomorpholine-4-carbothioamide
CID 115662486
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
CID 115927904
4-(2,2-diethoxyethyl)-2-ethylthiomorpholine
CID 104696561
3-amino-1-(2-ethylthiomorpholin-4-yl)propan-1-one
CID 115734525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-methylthiomorpholine?
The IUPAC name of (2S)-2-ethyl-4-methylthiomorpholine (CID 143445778) is (2S)-2-ethyl-4-methylthiomorpholine.
What is the SMILES notation for (2S)-2-ethyl-4-methylthiomorpholine?
The canonical SMILES for (2S)-2-ethyl-4-methylthiomorpholine is CC[C@H]1CN(C)CCS1.
What is the InChIKey of (2S)-2-ethyl-4-methylthiomorpholine?
The InChIKey is ROITUTPJJMSRAS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-7-6-8(2)4-5-9-7/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-methylthiomorpholine?
(2S)-2-ethyl-4-methylthiomorpholine has a molecular weight of 145.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-methylthiomorpholine is sourced from PubChem (CID 143445778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).