N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide

C11H22N2O2S — CID 66421910

IUPACN-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(C)(O)CNC(=O)CC1CSCCN1
InChIInChI=1S/C11H22N2O2S/c1-3-11(2,15)8-13-10(14)6-9-7-16-5-4-12-9/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeySHNYUJAZAYUJNY-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.36
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide

N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421910) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421910
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(C)(O)CNC(=O)CC1CSCCN1
InChIInChI=1S/C11H22N2O2S/c1-3-11(2,15)8-13-10(14)6-9-7-16-5-4-12-9/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeySHNYUJAZAYUJNY-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
2-ethyl-2-[[(2-thiomorpholin-3-ylacetyl)amino]methyl]butanoic acid
CID 115430291
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(2,2-difluoro-3-hydroxypropyl)-2-thiomorpholin-3-ylacetamide
CID 106176913
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(2,2-dimethyl-3-phenylpropyl)-2-thiomorpholin-3-ylacetamide
CID 119939505
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide (CID 66421910) is N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide is CCC(C)(O)CNC(=O)CC1CSCCN1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is SHNYUJAZAYUJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-11(2,15)8-13-10(14)6-9-7-16-5-4-12-9/h9,12,15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide?
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 246.38 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).