N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride

C13H24ClN3O3S — CID 119617291

IUPACN-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
SMILESCl.NCC(NC(=O)CSCC(=O)N1CCOCC1)C1CC1
InChIInChI=1S/C13H23N3O3S.ClH/c14-7-11(10-1-2-10)15-12(17)8-20-9-13(18)16-3-5-19-6-4-16;/h10-11H,1-9,14H2,(H,15,17);1H
InChIKeyKKYZBPPATHYIDN-UHFFFAOYSA-N
MW337.87 g/mol
LogP-0.15
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride (PubChem CID 119617291) has the molecular formula C13H24ClN3O3S and a molecular weight of 337.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
PubChem CID119617291
Molecular FormulaC13H24ClN3O3S
Molecular Weight337.87 g/mol
Exact Mass337.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
SMILESCl.NCC(NC(=O)CSCC(=O)N1CCOCC1)C1CC1
InChIInChI=1S/C13H23N3O3S.ClH/c14-7-11(10-1-2-10)15-12(17)8-20-9-13(18)16-3-5-19-6-4-16;/h10-11H,1-9,14H2,(H,15,17);1H
InChIKeyKKYZBPPATHYIDN-UHFFFAOYSA-N
XLogP-0.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119591812
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119617385
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 79031362
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103920035
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-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119621223
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-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66167023
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119621224
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride (CID 119617291) is N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride is Cl.NCC(NC(=O)CSCC(=O)N1CCOCC1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
The InChIKey is KKYZBPPATHYIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S.ClH/c14-7-11(10-1-2-10)15-12(17)8-20-9-13(18)16-3-5-19-6-4-16;/h10-11H,1-9,14H2,(H,15,17);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride has a molecular weight of 337.87 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119617291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).