2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide

C13H28N2O2S — CID 106247135

IUPAC2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC(C)(O)CSC
InChIInChI=1S/C13H28N2O2S/c1-7-12(3,4)15-11(16)10(2)14-8-13(5,17)9-18-6/h10,14,17H,7-9H2,1-6H3,(H,15,16)
InChIKeyQZLNWUIJZYLJGX-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.38
Rot. Bonds8

About 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 106247135) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID106247135
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC(C)(O)CSC
InChIInChI=1S/C13H28N2O2S/c1-7-12(3,4)15-11(16)10(2)14-8-13(5,17)9-18-6/h10,14,17H,7-9H2,1-6H3,(H,15,16)
InChIKeyQZLNWUIJZYLJGX-UHFFFAOYSA-N
XLogP1.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N1-cyclopentyl-N2-(2-hydroxy-2-methyl-4-(methylthio)butyl)oxalamide
CID 71787370
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106246953
2-amino-3,3,3-trifluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylpropanamide
CID 106247752
N1-cyclopropyl-N2-(2-hydroxy-2-methyl-3-(methylthio)propyl)oxalamide
CID 71787224
2-[(2-Amino-3-tert-butylsulfanylpropanoyl)amino]acetic acid
CID 14700585
N-tert-butyl-2-(tert-butylamino)-3-methylsulfanylpropanamide
CID 58914364
2-amino-N-(2-hydroxy-2-methylpropyl)-3-sulfanylpropanamide
CID 123395561
2-(dimethylamino)-N-[(2R)-1-(dimethylamino)-3-methylsulfanyl-1-oxopropan-2-yl]-2-methylpropanamide
CID 145284928
2-[(2-Amino-3-methylsulfanylpropanoyl)amino]acetic acid;ethane
CID 145558449
N-tert-butyl-2-(2-methylsulfanylpropanoylamino)propanamide
CID 60587409
N-(2-methylbutan-2-yl)-2-(2-methylsulfanylethylamino)propanamide
CID 60719558
N-tert-butyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]propanamide
CID 63964282

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 106247135) is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NCC(C)(O)CSC.
What is the InChIKey of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is QZLNWUIJZYLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-7-12(3,4)15-11(16)10(2)14-8-13(5,17)9-18-6/h10,14,17H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 276.45 g/mol, XLogP of 1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 106247135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).