3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide

C8H18N2OS — CID 66218369

IUPAC3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide
SMILESCCNC(=O)CCSC(C)CN
InChIInChI=1S/C8H18N2OS/c1-3-10-8(11)4-5-12-7(2)6-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyIYLBKYSLIXLDEQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.59
Rot. Bonds6

About 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide

3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide (PubChem CID 66218369) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide
PubChem CID66218369
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide
SMILESCCNC(=O)CCSC(C)CN
InChIInChI=1S/C8H18N2OS/c1-3-10-8(11)4-5-12-7(2)6-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyIYLBKYSLIXLDEQ-UHFFFAOYSA-N
XLogP0.59
TPSA55.12 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide 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

3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66220595
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
3-[1-(3-hydrazinyl-3-oxopropyl)sulfanylethylsulfanyl]propanehydrazide
CID 140969773
2-(2-aminoethylsulfanyl)-N-ethylpropanamide
CID 43117398
2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide
CID 66218622
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N,N'-diethylnonanediamide
CID 89048639
N-ethyl-3-(3-oxododecyldisulfanyl)propanamide
CID 159526154
N-ethyltridecanamide
CID 23297417
N-ethylhexadecanamide
CID 18377756
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide?
The IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide (CID 66218369) is 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide.
What is the SMILES notation for 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide?
The canonical SMILES for 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide is CCNC(=O)CCSC(C)CN.
What is the InChIKey of 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide?
The InChIKey is IYLBKYSLIXLDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-10-8(11)4-5-12-7(2)6-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide?
3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide has a molecular weight of 190.31 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide is sourced from PubChem (CID 66218369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).