N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide

C10H20N2O2S — CID 66422411

IUPACN-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(CO)NC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O2S/c1-2-8(6-13)12-10(14)5-9-7-15-4-3-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyGQCGQQQBTFDTHT-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.03
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide

N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66422411) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66422411
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCC(CO)NC(=O)CC1CSCCN1
InChIInChI=1S/C10H20N2O2S/c1-2-8(6-13)12-10(14)5-9-7-15-4-3-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14)
InChIKeyGQCGQQQBTFDTHT-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-[1-(4-chlorophenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 66421232
(2R)-3,3-dimethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]butanoic acid
CID 113353132
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 106349945
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
methyl 3-[(2-thiomorpholin-3-ylacetyl)amino]butanoate;hydrochloride
CID 119935716
N-(1-morpholin-4-yl-1-oxobutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119940120
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide (CID 66422411) is N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide is CCC(CO)NC(=O)CC1CSCCN1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is GQCGQQQBTFDTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-8(6-13)12-10(14)5-9-7-15-4-3-11-9/h8-9,11,13H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 232.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).