N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide

C11H24N2OS — CID 112659089

IUPACN,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)C(C)CNC
InChIInChI=1S/C11H24N2OS/c1-6-10(8-15-5)13(4)11(14)9(2)7-12-3/h9-10,12H,6-8H2,1-5H3
InChIKeySGEPEUPXDIKJRS-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.44
Rot. Bonds7

About N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide

N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide (PubChem CID 112659089) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
PubChem CID112659089
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC NameN,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
SMILESCCC(CSC)N(C)C(=O)C(C)CNC
InChIInChI=1S/C11H24N2OS/c1-6-10(8-15-5)13(4)11(14)9(2)7-12-3/h9-10,12H,6-8H2,1-5H3
InChIKeySGEPEUPXDIKJRS-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
CID 119806881
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
methyl N-methyl-N-(1-methylsulfanylbutan-2-yl)carbamate
CID 115898188
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662742
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760
2-methyl-4-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662769
(2S)-4-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 103955219
4-hydroxy-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 112662763
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide (CID 112659089) is N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide is CCC(CSC)N(C)C(=O)C(C)CNC.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is SGEPEUPXDIKJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-6-10(8-15-5)13(4)11(14)9(2)7-12-3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide?
N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide has a molecular weight of 232.39 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 112659089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).