3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide

C13H28N2OS — CID 112659141

IUPAC3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC(CSC)N(C)C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C13H28N2OS/c1-7-10(9-17-6)15(5)12(16)8-11(14)13(2,3)4/h10-11H,7-9,14H2,1-6H3
InChIKeyALUMFOYXOSTUSC-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.35
Rot. Bonds6

About 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide

3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide (PubChem CID 112659141) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
PubChem CID112659141
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC(CSC)N(C)C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C13H28N2OS/c1-7-10(9-17-6)15(5)12(16)8-11(14)13(2,3)4/h10-11H,7-9,14H2,1-6H3
InChIKeyALUMFOYXOSTUSC-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
2-methoxy-N-methyl-N-[(2S)-1-methylsulfanylbutan-2-yl]acetamide
CID 97109049
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
2-carbamothioyl-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659636
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
2-cyano-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112551674
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-[ethyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 112662766
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
CID 112659179
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The IUPAC name of 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide (CID 112659141) is 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide.
What is the SMILES notation for 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The canonical SMILES for 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide is CCC(CSC)N(C)C(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The InChIKey is ALUMFOYXOSTUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-7-10(9-17-6)15(5)12(16)8-11(14)13(2,3)4/h10-11H,7-9,14H2,1-6H3.
What are the key properties of 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide has a molecular weight of 260.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide is sourced from PubChem (CID 112659141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).