N-(2-aminosulfanylethyl)-5-oxohexanamide

C8H16N2O2S — CID 146281528

IUPACN-(2-aminosulfanylethyl)-5-oxohexanamide
SMILESCC(=O)CCCC(=O)NCCSN
InChIInChI=1S/C8H16N2O2S/c1-7(11)3-2-4-8(12)10-5-6-13-9/h2-6,9H2,1H3,(H,10,12)
InChIKeyBPHIOQJMAKCQTD-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.47
Rot. Bonds7

About N-(2-aminosulfanylethyl)-5-oxohexanamide

N-(2-aminosulfanylethyl)-5-oxohexanamide (PubChem CID 146281528) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-(2-aminosulfanylethyl)-5-oxohexanamide.

Molecular Properties

Compound NameN-(2-aminosulfanylethyl)-5-oxohexanamide
PubChem CID146281528
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-(2-aminosulfanylethyl)-5-oxohexanamide
SMILESCC(=O)CCCC(=O)NCCSN
InChIInChI=1S/C8H16N2O2S/c1-7(11)3-2-4-8(12)10-5-6-13-9/h2-6,9H2,1H3,(H,10,12)
InChIKeyBPHIOQJMAKCQTD-UHFFFAOYSA-N
XLogP0.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-N-[2-[2-(6-oxoheptanoylamino)ethylamino]ethyl]heptanamide
CID 20656550
12-oxo-N-propyltridecanamide
CID 135223938
methanethiol;molecular hydrogen;5-oxo-N-propylhexanamide
CID 178099887
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide
CID 56675271
5-oxohexanehydrazide
CID 126993835
N-(10-oxoundecyl)dodecanamide
CID 171771299
N-[2-(2-aminoethyldisulfanyl)ethyl]-N'-[2-[2-[[5-[2-(2-aminoethyldisulfanyl)ethylamino]-5-oxopentanoyl]amino]ethyldisulfanyl]ethyl]pentanediamide;dihydrochloride
CID 90664806
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
S-(2-acetamidoethyl) 5-oxohexanethioate
CID 125498006

Frequently Asked Questions

What is the IUPAC name of N-(2-aminosulfanylethyl)-5-oxohexanamide?
The IUPAC name of N-(2-aminosulfanylethyl)-5-oxohexanamide (CID 146281528) is N-(2-aminosulfanylethyl)-5-oxohexanamide.
What is the SMILES notation for N-(2-aminosulfanylethyl)-5-oxohexanamide?
The canonical SMILES for N-(2-aminosulfanylethyl)-5-oxohexanamide is CC(=O)CCCC(=O)NCCSN.
What is the InChIKey of N-(2-aminosulfanylethyl)-5-oxohexanamide?
The InChIKey is BPHIOQJMAKCQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(11)3-2-4-8(12)10-5-6-13-9/h2-6,9H2,1H3,(H,10,12).
What are the key properties of N-(2-aminosulfanylethyl)-5-oxohexanamide?
N-(2-aminosulfanylethyl)-5-oxohexanamide has a molecular weight of 204.29 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminosulfanylethyl)-5-oxohexanamide is sourced from PubChem (CID 146281528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).