2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide

C10H22N2OS — CID 79811579

IUPAC2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
SMILESCCC(C)(N)C(=O)NCC(C)CSC
InChIInChI=1S/C10H22N2OS/c1-5-10(3,11)9(13)12-6-8(2)7-14-4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyOMRORYLRSFFNDE-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide

2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide (PubChem CID 79811579) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
PubChem CID79811579
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC Name2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
SMILESCCC(C)(N)C(=O)NCC(C)CSC
InChIInChI=1S/C10H22N2OS/c1-5-10(3,11)9(13)12-6-8(2)7-14-4/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyOMRORYLRSFFNDE-UHFFFAOYSA-N
XLogP1.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-amino-2-methyl-N-(2-methylsulfanylethyl)butanamide
CID 79811350
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
CID 79805016
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
ethyl 3,3-dimethyl-2-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]butanoate
CID 116538089
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
CID 79811130
2-amino-N-(2,2-dimethylpropyl)-2-methylbutanamide
CID 79805965
ethyl 2-[(2-methyl-3-methylsulfanylpropyl)amino]-2-oxoacetate
CID 63960113
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
6-[(2-amino-2-methylbutanoyl)amino]-4-methylhexanoic acid
CID 79812135

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
The IUPAC name of 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide (CID 79811579) is 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
The canonical SMILES for 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide is CCC(C)(N)C(=O)NCC(C)CSC.
What is the InChIKey of 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
The InChIKey is OMRORYLRSFFNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-5-10(3,11)9(13)12-6-8(2)7-14-4/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide?
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide has a molecular weight of 218.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 79811579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).