N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C12H22N2O4S — CID 103920035

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC[C@H](CO)NC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4S/c1-2-10(7-15)13-11(16)8-19-9-12(17)14-3-5-18-6-4-14/h10,15H,2-9H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyBKPZVRIANDGPHI-SNVBAGLBSA-N
MW290.38 g/mol
LogP-0.53
Rot. Bonds7

About N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 103920035) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID103920035
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESCC[C@H](CO)NC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C12H22N2O4S/c1-2-10(7-15)13-11(16)8-19-9-12(17)14-3-5-18-6-4-14/h10,15H,2-9H2,1H3,(H,13,16)/t10-/m1/s1
InChIKeyBKPZVRIANDGPHI-SNVBAGLBSA-N
XLogP-0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 79031362
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103798866
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
N-(2-hydroxy-3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 115701598
N-(2,2-dimethyl-1-phenylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60568639
N-[1-(4-bromophenyl)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55336133
N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119617291
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 103920035) is N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is CC[C@H](CO)NC(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is BKPZVRIANDGPHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-2-10(7-15)13-11(16)8-19-9-12(17)14-3-5-18-6-4-14/h10,15H,2-9H2,1H3,(H,13,16)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 290.38 g/mol, XLogP of -0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 103920035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).