3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide

C10H22N2OS — CID 65267164

IUPAC3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
SMILESCSCCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C10H22N2OS/c1-9(2,10(3,4)11)8(13)12-6-7-14-5/h6-7,11H2,1-5H3,(H,12,13)
InChIKeyXASTXOZPMMFMAD-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds5

About 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide

3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide (PubChem CID 65267164) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
PubChem CID65267164
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide
SMILESCSCCNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C10H22N2OS/c1-9(2,10(3,4)11)8(13)12-6-7-14-5/h6-7,11H2,1-5H3,(H,12,13)
InChIKeyXASTXOZPMMFMAD-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-(2-methylsulfanylethyl)butanamide
CID 79811350
2,2-dimethyl-3-(2-methylsulfanylethylamino)-3-oxopropanoic acid
CID 82820736
3-amino-N-(2-aminoethyl)-2,2,3-trimethylbutanamide
CID 65270025
2-(ethylamino)-2-methyl-N-(2-methylsulfanylethyl)propanamide
CID 63958213
3-amino-2,2,3-trimethyl-N-(3-sulfamoylpropyl)butanamide
CID 65266947
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethylbutanamide
CID 65264682
ethyl 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]propanoate
CID 65267148
2,2-dimethyl-N-[2-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]ethyl]propanamide
CID 111346329
6-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65286271
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide (CID 65267164) is 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide is CSCCNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide?
The InChIKey is XASTXOZPMMFMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-9(2,10(3,4)11)8(13)12-6-7-14-5/h6-7,11H2,1-5H3,(H,12,13).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide?
3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(2-methylsulfanylethyl)butanamide is sourced from PubChem (CID 65267164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).