N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

C13H24N2O4S — CID 107318984

IUPACN-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)NCCCCCO
InChIInChI=1S/C13H24N2O4S/c16-7-3-1-2-4-14-12(17)10-20-11-13(18)15-5-8-19-9-6-15/h16H,1-11H2,(H,14,17)
InChIKeyZLBGEMBPXCEOAR-UHFFFAOYSA-N
MW304.41 g/mol
LogP-0.14
Rot. Bonds9

About N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide

N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (PubChem CID 107318984) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
PubChem CID107318984
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC NameN-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCOCC1)NCCCCCO
InChIInChI=1S/C13H24N2O4S/c16-7-3-1-2-4-14-12(17)10-20-11-13(18)15-5-8-19-9-6-15/h16H,1-11H2,(H,14,17)
InChIKeyZLBGEMBPXCEOAR-UHFFFAOYSA-N
XLogP-0.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 43388901
2-hydroxy-2-methyl-3-[[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 66173764
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 119621224
N-[3-(N-ethylanilino)propyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 55520263
N-[2-(cycloheptylamino)ethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide;hydrochloride
CID 119621223
2-[2-(6-hydroxyhexylamino)-2-oxoethyl]sulfanylacetic acid
CID 107846497
N-(2-chloroprop-2-enyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 113238668
(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-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-[(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-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The IUPAC name of N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide (CID 107318984) is N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCOCC1)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
The InChIKey is ZLBGEMBPXCEOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c16-7-3-1-2-4-14-12(17)10-20-11-13(18)15-5-8-19-9-6-15/h16H,1-11H2,(H,14,17).
What are the key properties of N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide?
N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide has a molecular weight of 304.41 g/mol, XLogP of -0.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide is sourced from PubChem (CID 107318984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).