N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide

C11H23NO2S — CID 103522092

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H23NO2S/c1-5-9(2)6-10(13)12-7-11(3,14)8-15-4/h9,14H,5-8H2,1-4H3,(H,12,13)
InChIKeyHGMXIGBJOUKXJA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.65
Rot. Bonds7

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide (PubChem CID 103522092) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
PubChem CID103522092
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide
SMILESCCC(C)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H23NO2S/c1-5-9(2)6-10(13)12-7-11(3,14)8-15-4/h9,14H,5-8H2,1-4H3,(H,12,13)
InChIKeyHGMXIGBJOUKXJA-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106244340
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437
3-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247798
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylpentanamide
CID 103525819
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
N-(2-ethyl-2-hydroxybutyl)-3-methylpentanamide
CID 114875415
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybutanamide
CID 106247589
5-[(2-hydroxy-2-methylbutyl)amino]-3-methyl-5-oxopentanoic acid
CID 65108474
4-(2-aminoethyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)heptanamide
CID 106247749
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pent-4-ynamide
CID 106741506
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide (CID 103522092) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide is CCC(C)CC(=O)NCC(C)(O)CSC.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide?
The InChIKey is HGMXIGBJOUKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-9(2)6-10(13)12-7-11(3,14)8-15-4/h9,14H,5-8H2,1-4H3,(H,12,13).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide has a molecular weight of 233.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpentanamide is sourced from PubChem (CID 103522092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).