2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone

C11H21NO3S — CID 103705901

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSC(C)C(C)O)CCO1
InChIInChI=1S/C11H21NO3S/c1-8-6-12(4-5-15-8)11(14)7-16-10(3)9(2)13/h8-10,13H,4-7H2,1-3H3
InChIKeyYERJSDFOVAQQFL-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.74
Rot. Bonds4

About 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone

2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 103705901) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID103705901
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CSC(C)C(C)O)CCO1
InChIInChI=1S/C11H21NO3S/c1-8-6-12(4-5-15-8)11(14)7-16-10(3)9(2)13/h8-10,13H,4-7H2,1-3H3
InChIKeyYERJSDFOVAQQFL-UHFFFAOYSA-N
XLogP0.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 96537967
1-(2-methylmorpholin-4-yl)octan-1-one
CID 146665487
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
2-(3-hydroxybutan-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103895763
1-(2-methylmorpholin-4-yl)-2-[[5-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 24577406
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94061744

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone (CID 103705901) is 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CSC(C)C(C)O)CCO1.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is YERJSDFOVAQQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-8-6-12(4-5-15-8)11(14)7-16-10(3)9(2)13/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone?
2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 247.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 103705901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).