N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide

C12H26N2O2S — CID 113484086

IUPACN-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC(C)S(C)=O
InChIInChI=1S/C12H26N2O2S/c1-7-12(4,5)14-11(15)10(3)13-8-9(2)17(6)16/h9-10,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyJFXDBEODYKQMEM-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.04
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide

N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide (PubChem CID 113484086) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide
PubChem CID113484086
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC(C)S(C)=O
InChIInChI=1S/C12H26N2O2S/c1-7-12(4,5)14-11(15)10(3)13-8-9(2)17(6)16/h9-10,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyJFXDBEODYKQMEM-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-3-methylsulfanyl-2-(propanoylamino)propanamide
CID 145980045
2-acetamido-N-ethyl-3-(methylsulfanyl)propanamide
CID 13048727
(2s)-2-(Acetylamino)-N-Methyl-4-[(R)-Methylsulfinyl]butanamide
CID 44228992
S-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyl] ethanethioate
CID 21156299
S-[2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]ethyl] ethanethioate
CID 44332781
(2s)-2-(Acetylamino)-N-Methyl-4-[(S)-Methylsulfinyl]butanamide
CID 24178118
N-methyl-2-methylsulfanyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 71941853
N-tert-butyl-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]propanamide
CID 60587391
N-(2-methylbutan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethylamino]propanamide
CID 106429332
2-(1-methylsulfinylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113486435
2-(4-methylsulfinylbutan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113493459
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide (CID 113484086) is N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide is CCC(C)(C)NC(=O)C(C)NCC(C)S(C)=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide?
The InChIKey is JFXDBEODYKQMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-7-12(4,5)14-11(15)10(3)13-8-9(2)17(6)16/h9-10,13H,7-8H2,1-6H3,(H,14,15).
What are the key properties of N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide has a molecular weight of 262.42 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide is sourced from PubChem (CID 113484086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).