N-ethyl-2-(2-methylsulfanylethylamino)propanamide

C8H18N2OS — CID 60672762

IUPACN-ethyl-2-(2-methylsulfanylethylamino)propanamide
SMILESCCNC(=O)C(C)NCCSC
InChIInChI=1S/C8H18N2OS/c1-4-9-8(11)7(2)10-5-6-12-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKeyFSEYBTGZGPRXHU-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.46
Rot. Bonds6

About N-ethyl-2-(2-methylsulfanylethylamino)propanamide

N-ethyl-2-(2-methylsulfanylethylamino)propanamide (PubChem CID 60672762) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is N-ethyl-2-(2-methylsulfanylethylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methylsulfanylethylamino)propanamide
PubChem CID60672762
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC NameN-ethyl-2-(2-methylsulfanylethylamino)propanamide
SMILESCCNC(=O)C(C)NCCSC
InChIInChI=1S/C8H18N2OS/c1-4-9-8(11)7(2)10-5-6-12-3/h7,10H,4-6H2,1-3H3,(H,9,11)
InChIKeyFSEYBTGZGPRXHU-UHFFFAOYSA-N
XLogP0.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(2-methylsulfanylethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(2-prop-2-ynylsulfanylethylamino)propanamide
CID 106428869
N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
CID 60676629
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61479056
2-(2,3-dimethylbutylamino)-N-ethylpropanamide
CID 64571125
N-ethyl-2-(prop-2-ynylamino)propanamide
CID 43086396
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
CID 113409920
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylsulfanylethylamino)propanamide?
The IUPAC name of N-ethyl-2-(2-methylsulfanylethylamino)propanamide (CID 60672762) is N-ethyl-2-(2-methylsulfanylethylamino)propanamide.
What is the SMILES notation for N-ethyl-2-(2-methylsulfanylethylamino)propanamide?
The canonical SMILES for N-ethyl-2-(2-methylsulfanylethylamino)propanamide is CCNC(=O)C(C)NCCSC.
What is the InChIKey of N-ethyl-2-(2-methylsulfanylethylamino)propanamide?
The InChIKey is FSEYBTGZGPRXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-4-9-8(11)7(2)10-5-6-12-3/h7,10H,4-6H2,1-3H3,(H,9,11).
What are the key properties of N-ethyl-2-(2-methylsulfanylethylamino)propanamide?
N-ethyl-2-(2-methylsulfanylethylamino)propanamide has a molecular weight of 190.31 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylsulfanylethylamino)propanamide is sourced from PubChem (CID 60672762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).