3-(3-ethylsulfanylpropylamino)propanamide

C8H18N2OS — CID 104586816

IUPAC3-(3-ethylsulfanylpropylamino)propanamide
SMILESCCSCCCNCCC(N)=O
InChIInChI=1S/C8H18N2OS/c1-2-12-7-3-5-10-6-4-8(9)11/h10H,2-7H2,1H3,(H2,9,11)
InChIKeyAYJAHAFPNYNMHL-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.59
Rot. Bonds8

About 3-(3-ethylsulfanylpropylamino)propanamide

3-(3-ethylsulfanylpropylamino)propanamide (PubChem CID 104586816) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-(3-ethylsulfanylpropylamino)propanamide.

Molecular Properties

Compound Name3-(3-ethylsulfanylpropylamino)propanamide
PubChem CID104586816
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-(3-ethylsulfanylpropylamino)propanamide
SMILESCCSCCCNCCC(N)=O
InChIInChI=1S/C8H18N2OS/c1-2-12-7-3-5-10-6-4-8(9)11/h10H,2-7H2,1H3,(H2,9,11)
InChIKeyAYJAHAFPNYNMHL-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(propylamino)butanamide
CID 21468794
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
2-(2-hydroxyethylamino)ethanol;3-(octadecylamino)propanamide
CID 175210983
ethane;3-(ethylamino)propanamide
CID 156743022
5-amino-2-(3-ethylsulfanylpropylcarbamoylamino)-5-oxopentanoic acid
CID 114248323
12-(hexylamino)dodecanamide
CID 174861179
4-[4-(tetradecylamino)butylamino]butanamide
CID 175024979
3-(5-hydroxypentylamino)propanamide
CID 62227149
6-(decylamino)hexanamide
CID 13292350
3-[2-[4-(ethoxymethylamino)butylamino]ethylamino]propanamide
CID 177307033
5-(3-ethylsulfanylpropylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 114248120
4-ethylsulfanylbutanehydrazide
CID 63581929

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanylpropylamino)propanamide?
The IUPAC name of 3-(3-ethylsulfanylpropylamino)propanamide (CID 104586816) is 3-(3-ethylsulfanylpropylamino)propanamide.
What is the SMILES notation for 3-(3-ethylsulfanylpropylamino)propanamide?
The canonical SMILES for 3-(3-ethylsulfanylpropylamino)propanamide is CCSCCCNCCC(N)=O.
What is the InChIKey of 3-(3-ethylsulfanylpropylamino)propanamide?
The InChIKey is AYJAHAFPNYNMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-2-12-7-3-5-10-6-4-8(9)11/h10H,2-7H2,1H3,(H2,9,11).
What are the key properties of 3-(3-ethylsulfanylpropylamino)propanamide?
3-(3-ethylsulfanylpropylamino)propanamide has a molecular weight of 190.31 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanylpropylamino)propanamide is sourced from PubChem (CID 104586816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).