2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide

C9H20N2O2S — CID 106246987

IUPAC2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(C)(O)CSC
InChIInChI=1S/C9H20N2O2S/c1-7(8(12)10-3)11-5-9(2,13)6-14-4/h7,11,13H,5-6H2,1-4H3,(H,10,12)
InChIKeyYDHJDDBWCWEFDE-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.18
Rot. Bonds6

About 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide (PubChem CID 106246987) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide
PubChem CID106246987
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCC(C)(O)CSC
InChIInChI=1S/C9H20N2O2S/c1-7(8(12)10-3)11-5-9(2,13)6-14-4/h7,11,13H,5-6H2,1-4H3,(H,10,12)
InChIKeyYDHJDDBWCWEFDE-UHFFFAOYSA-N
XLogP-0.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 106247135
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114163658
N'-hydroxy-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]propanimidamide
CID 106247927
1-(but-3-en-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246962
methyl 2-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 106248351
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-methylpropanamide
CID 43086299
6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoic acid
CID 106247319
1-(heptan-2-ylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 115722418
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
CID 103522092
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]hexanoate
CID 106248338
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide (CID 106246987) is 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide is CNC(=O)C(C)NCC(C)(O)CSC.
What is the InChIKey of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide?
The InChIKey is YDHJDDBWCWEFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(8(12)10-3)11-5-9(2,13)6-14-4/h7,11,13H,5-6H2,1-4H3,(H,10,12).
What are the key properties of 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide?
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-N-methylpropanamide has a molecular weight of 220.34 g/mol, XLogP of -0.18, 6 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-methylpropanamide is sourced from PubChem (CID 106246987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).