4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide

C9H19NO2S — CID 112666850

IUPAC4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
SMILESCSCCN(C)C(=O)CCC(C)O
InChIInChI=1S/C9H19NO2S/c1-8(11)4-5-9(12)10(2)6-7-13-3/h8,11H,4-7H2,1-3H3
InChIKeyMGIWAVTYDJIFPY-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.97
Rot. Bonds6

About 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide

4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide (PubChem CID 112666850) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
PubChem CID112666850
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide
SMILESCSCCN(C)C(=O)CCC(C)O
InChIInChI=1S/C9H19NO2S/c1-8(11)4-5-9(12)10(2)6-7-13-3/h8,11H,4-7H2,1-3H3
InChIKeyMGIWAVTYDJIFPY-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-4-ethyl-N-methyl-N-(2-methylsulfanylethyl)hexanamide
CID 112658971
N-(2-amino-2-oxoethyl)-4-hydroxy-N-methylpentanamide
CID 79200969
N-methyl-N-(2-methylsulfanylethyl)-2-propan-2-yloxyacetamide
CID 112697996
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 169313143
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
CID 112658917
N-(3-hydroxybutyl)-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115691770
5-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]hexanoic acid
CID 112662505
N-(5-hydroxyhexyl)-N-methyloctanamide
CID 143646438
4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylpentanamide
CID 104556903
(2S)-2-[[3-hydroxybutyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104869341
2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683567

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide (CID 112666850) is 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide is CSCCN(C)C(=O)CCC(C)O.
What is the InChIKey of 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide?
The InChIKey is MGIWAVTYDJIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(11)4-5-9(12)10(2)6-7-13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide?
4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide has a molecular weight of 205.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)pentanamide is sourced from PubChem (CID 112666850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).