2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide

C8H18N2OS — CID 115734463

IUPAC2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
SMILESCCSCCC(C)NC(=O)CN
InChIInChI=1S/C8H18N2OS/c1-3-12-5-4-7(2)10-8(11)6-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyUWOIACDTHRFEAO-UHFFFAOYSA-N
MW190.31 g/mol
LogP0.59
Rot. Bonds6

About 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide

2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide (PubChem CID 115734463) has the molecular formula C8H18N2OS and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
PubChem CID115734463
Molecular FormulaC8H18N2OS
Molecular Weight190.31 g/mol
Exact Mass190.11
IUPAC Name2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide
SMILESCCSCCC(C)NC(=O)CN
InChIInChI=1S/C8H18N2OS/c1-3-12-5-4-7(2)10-8(11)6-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyUWOIACDTHRFEAO-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

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide 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-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylbutanamide
CID 115740017
N-(4-ethylsulfanylbutan-2-yl)-2-methylpropanamide
CID 115662209
2-[2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104588503
3-amino-N-(4-ethylsulfanylbutan-2-yl)-2,2-dimethylpropanamide
CID 115740019
2-(4-ethylsulfanylbutan-2-ylamino)-2-oxoacetic acid
CID 104768118
2-amino-N-(4-ethylsulfanylbutan-2-yl)butanamide
CID 115734470
2-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-4-methylpentanamide
CID 113266963
N-(4-ethylsulfanylbutan-2-yl)-4-(methylamino)butanamide;hydrochloride
CID 119791046
(2S,3S)-2-amino-N-(4-ethylsulfanylbutan-2-yl)-3-methylpentanamide
CID 103833178
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
CID 117126539
N-(4-ethylsulfanylbutan-2-yl)-2-(2-hydroxyphenyl)acetamide
CID 115665163

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide (CID 115734463) is 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide is CCSCCC(C)NC(=O)CN.
What is the InChIKey of 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide?
The InChIKey is UWOIACDTHRFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2OS/c1-3-12-5-4-7(2)10-8(11)6-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide?
2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide 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 2-amino-N-(4-ethylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 115734463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).