N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide

C11H23NO2S — CID 103767537

IUPACN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCSCCCO
InChIInChI=1S/C11H23NO2S/c1-10(2)4-5-11(14)12-6-9-15-8-3-7-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyYNTQYTRAWYDHCL-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.65
Rot. Bonds9

About N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide

N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide (PubChem CID 103767537) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
PubChem CID103767537
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCSCCCO
InChIInChI=1S/C11H23NO2S/c1-10(2)4-5-11(14)12-6-9-15-8-3-7-13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKeyYNTQYTRAWYDHCL-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 103767304
4-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide
CID 106310917
3-[2-(3-methylbutylamino)ethylsulfanyl]propan-1-ol
CID 103578586
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylbutanamide
CID 106310842
2-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
CID 106310415
2-[acetyl(methyl)amino]-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767866
2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]pentanamide
CID 103950544
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-phenylpropanamide
CID 103767427
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
The IUPAC name of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide (CID 103767537) is N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide is CC(C)CCC(=O)NCCSCCCO.
What is the InChIKey of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
The InChIKey is YNTQYTRAWYDHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)4-5-11(14)12-6-9-15-8-3-7-13/h10,13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide?
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide has a molecular weight of 233.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 103767537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).