N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide

C16H25NO2S — CID 103919353

IUPACN-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)NCCCCCCO
InChIInChI=1S/C16H25NO2S/c18-13-7-2-1-6-12-17-16(19)11-8-14-20-15-9-4-3-5-10-15/h3-5,9-10,18H,1-2,6-8,11-14H2,(H,17,19)
InChIKeyGRMJSOGIWWIPPC-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.23
Rot. Bonds11

About N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide

N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide (PubChem CID 103919353) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
PubChem CID103919353
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide
SMILESO=C(CCCSc1ccccc1)NCCCCCCO
InChIInChI=1S/C16H25NO2S/c18-13-7-2-1-6-12-17-16(19)11-8-14-20-15-9-4-3-5-10-15/h3-5,9-10,18H,1-2,6-8,11-14H2,(H,17,19)
InChIKeyGRMJSOGIWWIPPC-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxypentyl)-4-phenylsulfanylbutanamide
CID 107300336
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
N-[(E)-pent-3-enyl]-4-phenylsulfanylbutanamide
CID 115628160
4-(3-phenylsulfanylpropanoylamino)butanoic acid
CID 43239197
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
N-(3-hydroxy-2-methylpropyl)-4-phenylsulfanylbutanamide
CID 65036802
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-phenylsulfanylbutanamide
CID 80717229
N-(3-methoxypropyl)-3-phenylsulfanylpropanamide
CID 3138314
2-(3-hydroxypropylsulfanyl)-N-(2-phenylsulfanylethyl)acetamide
CID 66126582
4-oxo-4-(2-phenylsulfanylethylamino)butanoic acid
CID 54881086

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide?
The IUPAC name of N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide (CID 103919353) is N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide is O=C(CCCSc1ccccc1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide?
The InChIKey is GRMJSOGIWWIPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c18-13-7-2-1-6-12-17-16(19)11-8-14-20-15-9-4-3-5-10-15/h3-5,9-10,18H,1-2,6-8,11-14H2,(H,17,19).
What are the key properties of N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide?
N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide has a molecular weight of 295.45 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-4-phenylsulfanylbutanamide is sourced from PubChem (CID 103919353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).