2-(2-aminoethylsulfanyl)-N-ethylpropanamide

C7H16N2OS — CID 43117398

IUPAC2-(2-aminoethylsulfanyl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)SCCN
InChIInChI=1S/C7H16N2OS/c1-3-9-7(10)6(2)11-5-4-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyOYDGYIOYCGQKRJ-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-ethylpropanamide

2-(2-aminoethylsulfanyl)-N-ethylpropanamide (PubChem CID 43117398) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-ethylpropanamide
PubChem CID43117398
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-(2-aminoethylsulfanyl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)SCCN
InChIInChI=1S/C7H16N2OS/c1-3-9-7(10)6(2)11-5-4-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyOYDGYIOYCGQKRJ-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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-butylpropanamide
CID 43117401
(2R)-2-amino-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 61141480
2-(2-aminoethylsulfanyl)-N-(3,5-dichlorophenyl)propanamide
CID 82179923
2-butylsulfanyl-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654893
N-(3-aminobutyl)-2-butylsulfanylpropanamide;hydrochloride
CID 119496430
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
2-amino-N,N'-diethylpropanediamide
CID 88901749
2-(2-aminoethylsulfanyl)-N-(2,5-dimethylphenyl)propanamide
CID 82179912
methyl 2-(2-butylsulfanylpropanoylamino)acetate
CID 134037889
2-ethylsulfanyl-N-(methylaminomethyl)propanamide
CID 144683184
2-(2-aminoethylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 82179913
2-(4-aminophenyl)sulfanyl-N-ethylpropanamide
CID 43299394

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-ethylpropanamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-ethylpropanamide (CID 43117398) is 2-(2-aminoethylsulfanyl)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-ethylpropanamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-ethylpropanamide is CCNC(=O)C(C)SCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-ethylpropanamide?
The InChIKey is OYDGYIOYCGQKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-3-9-7(10)6(2)11-5-4-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-ethylpropanamide?
2-(2-aminoethylsulfanyl)-N-ethylpropanamide 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 2-(2-aminoethylsulfanyl)-N-ethylpropanamide is sourced from PubChem (CID 43117398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).