N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide

C15H23NO2S — CID 61246212

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
SMILESCC(C)CC(CO)NC(=O)CCSc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-12(2)10-13(11-17)16-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18)
InChIKeySXTIUMWCTBKMSO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.69
Rot. Bonds8

About N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide

N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide (PubChem CID 61246212) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
PubChem CID61246212
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide
SMILESCC(C)CC(CO)NC(=O)CCSc1ccccc1
InChIInChI=1S/C15H23NO2S/c1-12(2)10-13(11-17)16-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18)
InChIKeySXTIUMWCTBKMSO-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
N-(1-hydroxybutan-2-yl)-3-phenylsulfanylpropanamide
CID 43390276
(2R)-4-methyl-2-(3-phenylsulfanylpropanoylamino)pentanoic acid
CID 78975535
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 79253088
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-3-phenylsulfanylpropanamide
CID 92675238
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
methyl 3-hydroxy-2-(3-phenylsulfanylpropanoylamino)propanoate
CID 43405741
3-hydroxy-2-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43238728
3-(4-fluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]propanamide
CID 103920317
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide (CID 61246212) is N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide is CC(C)CC(CO)NC(=O)CCSc1ccccc1.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide?
The InChIKey is SXTIUMWCTBKMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)10-13(11-17)16-15(18)8-9-19-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide?
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 61246212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).