N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide

C11H23NO2S — CID 103771239

IUPACN-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)CC(O)CNC(=O)CSC(C)C
InChIInChI=1S/C11H23NO2S/c1-8(2)5-10(13)6-12-11(14)7-15-9(3)4/h8-10,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyQJLUQPWLDDXNNO-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.65
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide

N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide (PubChem CID 103771239) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
PubChem CID103771239
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)CC(O)CNC(=O)CSC(C)C
InChIInChI=1S/C11H23NO2S/c1-8(2)5-10(13)6-12-11(14)7-15-9(3)4/h8-10,13H,5-7H2,1-4H3,(H,12,14)
InChIKeyQJLUQPWLDDXNNO-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

N-(2-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 43418189
N-(3-hydroxy-2-methylpropyl)-2-propan-2-ylsulfanylacetamide
CID 65031917
4-hydroxy-N-(2-hydroxy-4-methylpentyl)pentanamide
CID 107159465
N-(2-hydroxy-4-methylpentyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103771004
6-[(2-hydroxy-4-methylpentyl)amino]-6-oxohexanoic acid
CID 107151219
2-[[(2-propan-2-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65218166
2-(2,5-dichlorophenyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771516
3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152937
(3S)-3-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)-5-methylhexanamide
CID 107152919
2-phenyl-3-[(2-propan-2-ylsulfanylacetyl)amino]propanoic acid
CID 62884181
5-[(2-hydroxy-4-methylpentyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 107151222
2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide (CID 103771239) is N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide is CC(C)CC(O)CNC(=O)CSC(C)C.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is QJLUQPWLDDXNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-8(2)5-10(13)6-12-11(14)7-15-9(3)4/h8-10,13H,5-7H2,1-4H3,(H,12,14).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide?
N-(2-hydroxy-4-methylpentyl)-2-propan-2-ylsulfanylacetamide 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-4-methylpentyl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 103771239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).