N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide

C7H16N2OS — CID 117126539

IUPACN-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
SMILESCCSCC(=O)NC(C)CN
InChIInChI=1S/C7H16N2OS/c1-3-11-5-7(10)9-6(2)4-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyJUGDEAODPNYGMH-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide

N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide (PubChem CID 117126539) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
PubChem CID117126539
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC NameN-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
SMILESCCSCC(=O)NC(C)CN
InChIInChI=1S/C7H16N2OS/c1-3-11-5-7(10)9-6(2)4-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyJUGDEAODPNYGMH-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide 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-[(2S)-1-aminopropan-2-yl]-2-tert-butylsulfanylacetamide;hydrochloride
CID 120506117
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 115734463
2-[2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588503
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
2-(2-aminoethoxy)-N-(1-ethylsulfanylpropan-2-yl)acetamide
CID 115739921
N-[(2S)-1-aminopropan-2-yl]-2-(4-bromo-2,5-dimethylphenyl)sulfanylacetamide
CID 120506834
N-[(2R)-1-aminopropan-2-yl]-4-ethoxybutanamide
CID 104872961
N-butan-2-yl-2-(2-cyanoethylsulfanyl)acetamide
CID 82531471

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide (CID 117126539) is N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide is CCSCC(=O)NC(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide?
The InChIKey is JUGDEAODPNYGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-11-5-7(10)9-6(2)4-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide?
N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide has a molecular weight of 176.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide is sourced from PubChem (CID 117126539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).