N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide

C13H26N2O2S — CID 106349945

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(C)C(CCO)NC(=O)CC1CSCCN1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)11(4-6-16)15-12(17)8-10-9-18-7-5-14-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyYQGZYELPGBMLDJ-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.99
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 106349945) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID106349945
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide
SMILESCC(C)(C)C(CCO)NC(=O)CC1CSCCN1
InChIInChI=1S/C13H26N2O2S/c1-13(2,3)11(4-6-16)15-12(17)8-10-9-18-7-5-14-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)
InChIKeyYQGZYELPGBMLDJ-UHFFFAOYSA-N
XLogP0.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
4-hydroxy-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420292
N-(5,5-dimethylhexan-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939591
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66422411
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
2-hydroxy-2-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoic acid
CID 66420533
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
3-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 66420329
methyl 3-[(2-thiomorpholin-3-ylacetyl)amino]butanoate;hydrochloride
CID 119935716

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide (CID 106349945) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide is CC(C)(C)C(CCO)NC(=O)CC1CSCCN1.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is YQGZYELPGBMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2,3)11(4-6-16)15-12(17)8-10-9-18-7-5-14-10/h10-11,14,16H,4-9H2,1-3H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 274.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 106349945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).