2-ethyl-N-(2-sulfanylethyl)hexanamide

C10H21NOS — CID 59403792

IUPAC2-ethyl-N-(2-sulfanylethyl)hexanamide
SMILESCCCCC(CC)C(=O)NCCS
InChIInChI=1S/C10H21NOS/c1-3-5-6-9(4-2)10(12)11-7-8-13/h9,13H,3-8H2,1-2H3,(H,11,12)
InChIKeyBYFOUQKZSXXQBU-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.25
Rot. Bonds7

About 2-ethyl-N-(2-sulfanylethyl)hexanamide

2-ethyl-N-(2-sulfanylethyl)hexanamide (PubChem CID 59403792) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-ethyl-N-(2-sulfanylethyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(2-sulfanylethyl)hexanamide
PubChem CID59403792
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-ethyl-N-(2-sulfanylethyl)hexanamide
SMILESCCCCC(CC)C(=O)NCCS
InChIInChI=1S/C10H21NOS/c1-3-5-6-9(4-2)10(12)11-7-8-13/h9,13H,3-8H2,1-2H3,(H,11,12)
InChIKeyBYFOUQKZSXXQBU-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
Valeramide, N-isobutyl-2-propyl-
CID 211202
N-Butyl-2-ethylhexanamide
CID 24058
N-(2-methylsulfonylsulfanylethyl)-2-propylpentanamide
CID 44453388
N-(2-ethylhexyl)pentanamide
CID 2930605
N-(2-Sulfanylethyl)decanamide
CID 71358374
N-Heptyl-2-propylvaleramide
CID 3032193
N-Isopentyl-2-propylvaleramide
CID 3032198
N,2-Diethylhexanamide
CID 3028554
Hexanamide, 2-ethyl-N-propyl-
CID 4343495
2-ethyl-N-(2-ethylhexyl)hexanamide
CID 4549756

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-sulfanylethyl)hexanamide?
The IUPAC name of 2-ethyl-N-(2-sulfanylethyl)hexanamide (CID 59403792) is 2-ethyl-N-(2-sulfanylethyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(2-sulfanylethyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(2-sulfanylethyl)hexanamide is CCCCC(CC)C(=O)NCCS.
What is the InChIKey of 2-ethyl-N-(2-sulfanylethyl)hexanamide?
The InChIKey is BYFOUQKZSXXQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-5-6-9(4-2)10(12)11-7-8-13/h9,13H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-N-(2-sulfanylethyl)hexanamide?
2-ethyl-N-(2-sulfanylethyl)hexanamide has a molecular weight of 203.35 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-sulfanylethyl)hexanamide is sourced from PubChem (CID 59403792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).