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

C12H26N2OS — CID 112659073

IUPAC2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC(CSC)N(C)C(=O)C(N)CC(C)C
InChIInChI=1S/C12H26N2OS/c1-6-10(8-16-5)14(4)12(15)11(13)7-9(2)3/h9-11H,6-8,13H2,1-5H3
InChIKeyMTVRNFKTHAVZRT-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.96
Rot. Bonds7

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

2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide (PubChem CID 112659073) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
PubChem CID112659073
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
SMILESCCC(CSC)N(C)C(=O)C(N)CC(C)C
InChIInChI=1S/C12H26N2OS/c1-6-10(8-16-5)14(4)12(15)11(13)7-9(2)3/h9-11H,6-8,13H2,1-5H3
InChIKeyMTVRNFKTHAVZRT-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
CID 104551700
3-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)butanamide
CID 112659204
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112659089
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
CID 104902610
(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
(2S)-4-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]pentanoic acid
CID 103955219
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
CID 54999112
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
1,1-diethyl-3-methyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115897760

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide (CID 112659073) is 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide is CCC(CSC)N(C)C(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
The InChIKey is MTVRNFKTHAVZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-6-10(8-16-5)14(4)12(15)11(13)7-9(2)3/h9-11H,6-8,13H2,1-5H3.
What are the key properties of 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide?
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide has a molecular weight of 246.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide is sourced from PubChem (CID 112659073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).