N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C11H17ClN2O3S — CID 113238668

IUPACN-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESC=C(Cl)CNC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C11H17ClN2O3S/c1-9(12)6-13-10(15)7-18-8-11(16)14-2-4-17-5-3-14/h1-8H2,(H,13,15)
InChIKeyXCVMOJBIJWOJDO-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.45
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 113238668) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID113238668
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC NameN-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESC=C(Cl)CNC(=O)CSCC(=O)N1CCOCC1
InChIInChI=1S/C11H17ClN2O3S/c1-9(12)6-13-10(15)7-18-8-11(16)14-2-4-17-5-3-14/h1-8H2,(H,13,15)
InChIKeyXCVMOJBIJWOJDO-UHFFFAOYSA-N
XLogP0.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
(2S)-2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 107833509
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
2-hydroxy-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 107318984
N-(2-hydroxy-3-methylbutyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 115701598
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
N-[(5-ethylthiophen-2-yl)methyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 47888416
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119621224
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119621223
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 79031362

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 113238668) is N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is C=C(Cl)CNC(=O)CSCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is XCVMOJBIJWOJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-9(12)6-13-10(15)7-18-8-11(16)14-2-4-17-5-3-14/h1-8H2,(H,13,15).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 292.79 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 113238668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).