3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide

C10H22N2OS — CID 112659204

IUPAC3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
SMILESCCC(CSC)N(C)C(=O)CC(C)N
InChIInChI=1S/C10H22N2OS/c1-5-9(7-14-4)12(3)10(13)6-8(2)11/h8-9H,5-7,11H2,1-4H3
InChIKeyYTOFRVIZFIHJGX-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.32
Rot. Bonds6

About 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide

3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide (PubChem CID 112659204) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
PubChem CID112659204
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
SMILESCCC(CSC)N(C)C(=O)CC(C)N
InChIInChI=1S/C10H22N2OS/c1-5-9(7-14-4)12(3)10(13)6-8(2)11/h8-9H,5-7,11H2,1-4H3
InChIKeyYTOFRVIZFIHJGX-UHFFFAOYSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659141
2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
CID 97109049
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
2-[3-aminobutanoyl(methyl)amino]propanoic acid
CID 62639644
N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112659089
N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide (CID 112659204) is 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide is CCC(CSC)N(C)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
The InChIKey is YTOFRVIZFIHJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-9(7-14-4)12(3)10(13)6-8(2)11/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide?
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide is sourced from PubChem (CID 112659204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).