N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide

C8H18N2OS — CID 146646964

IUPACN-(2-ethylsulfanylethyl)-3-(methylamino)propanamide
SMILESCCSCCNC(=O)CCNC
InChIInChI=1S/C8H18N2OS/c1-3-12-7-6-10-8(11)4-5-9-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyWPUGOBHMJYTAMV-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.47
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide

N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide (PubChem CID 146646964) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-3-(methylamino)propanamide
PubChem CID146646964
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-(2-ethylsulfanylethyl)-3-(methylamino)propanamide
SMILESCCSCCNC(=O)CCNC
InChIInChI=1S/C8H18N2OS/c1-3-12-7-6-10-8(11)4-5-9-2/h9H,3-7H2,1-2H3,(H,10,11)
InChIKeyWPUGOBHMJYTAMV-UHFFFAOYSA-N
XLogP0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.47
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-chloro-N-(2-ethylsulfanylethyl)butanamide
CID 82109496
2-chloro-N-(2-ethylsulfanylethyl)acetamide
CID 82110577
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
2-ethylsulfanyl-N-methylethanamine
CID 18683899
N-(3-ethylsulfanylpropyl)octadecanamide
CID 140994811
dimethyl-[2-[3-(methylamino)propanoylamino]ethyl]azanium
CID 142404926
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-(2-ethylsulfanylethyl)prop-2-enamide
CID 54468890
ethane;3-(methylamino)-N-[2-(3-methylbutylsulfanyl)ethyl]propanamide;4-methyl-N-[2-[(2-methylsulfanyloxyacetyl)amino]ethyl]pentanamide
CID 154677702
N-[3-(methylamino)propyl]butanamide
CID 43600791
2-ethylsulfanyl-N-(2-methylsulfanylethyl)acetamide;methane
CID 159962117

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide (CID 146646964) is N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide is CCSCCNC(=O)CCNC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide?
The InChIKey is WPUGOBHMJYTAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-12-7-6-10-8(11)4-5-9-2/h9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide?
N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide has a molecular weight of 190.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide is sourced from PubChem (CID 146646964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).