N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide

C12H24N2O2S — CID 114155796

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(O)C(C)(C)NC(=O)CC1CSCCN1
InChIInChI=1S/C12H24N2O2S/c1-11(2,12(3,4)16)14-10(15)7-9-8-17-6-5-13-9/h9,13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyCNKYYXYFAQCCOR-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.75
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 114155796) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID114155796
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(O)C(C)(C)NC(=O)CC1CSCCN1
InChIInChI=1S/C12H24N2O2S/c1-11(2,12(3,4)16)14-10(15)7-9-8-17-6-5-13-9/h9,13,16H,5-8H2,1-4H3,(H,14,15)
InChIKeyCNKYYXYFAQCCOR-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
ethyl 2-methyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanoate;hydrochloride
CID 119938665
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-thiomorpholin-3-ylacetamide
CID 114163723
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N,2,2-trimethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 114167326
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 119938213

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide (CID 114155796) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide is CC(C)(O)C(C)(C)NC(=O)CC1CSCCN1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is CNKYYXYFAQCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-11(2,12(3,4)16)14-10(15)7-9-8-17-6-5-13-9/h9,13,16H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 260.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114155796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).