N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C16H29N3O3S — CID 119591812

IUPACN-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESNCC(NC(=O)CSCC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C16H29N3O3S/c17-10-14(13-4-2-1-3-5-13)18-15(20)11-23-12-16(21)19-6-8-22-9-7-19/h13-14H,1-12,17H2,(H,18,20)
InChIKeyFLTKWSYXNHHCHY-UHFFFAOYSA-N
MW343.49 g/mol
LogP0.60
Rot. Bonds7

About N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 119591812) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID119591812
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESNCC(NC(=O)CSCC(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C16H29N3O3S/c17-10-14(13-4-2-1-3-5-13)18-15(20)11-23-12-16(21)19-6-8-22-9-7-19/h13-14H,1-12,17H2,(H,18,20)
InChIKeyFLTKWSYXNHHCHY-UHFFFAOYSA-N
XLogP0.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119617291
N-(2-amino-1-cyclopropylethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119617385
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-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
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-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
CID 81486060
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 119591812) is N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is NCC(NC(=O)CSCC(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is FLTKWSYXNHHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c17-10-14(13-4-2-1-3-5-13)18-15(20)11-23-12-16(21)19-6-8-22-9-7-19/h13-14H,1-12,17H2,(H,18,20).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(2-amino-1-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 343.49 g/mol, XLogP of 0.60, 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-cyclohexylethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 119591812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).