2-(2-sulfanylethyl)undec-10-enamide

C13H25NOS — CID 123962158

IUPAC2-(2-sulfanylethyl)undec-10-enamide
SMILESC=CCCCCCCCC(CCS)C(N)=O
InChIInChI=1S/C13H25NOS/c1-2-3-4-5-6-7-8-9-12(10-11-16)13(14)15/h2,12,16H,1,3-11H2,(H2,14,15)
InChIKeyYUADKIYYZLSMRI-UHFFFAOYSA-N
MW243.42 g/mol
LogP3.32
Rot. Bonds11

About 2-(2-sulfanylethyl)undec-10-enamide

2-(2-sulfanylethyl)undec-10-enamide (PubChem CID 123962158) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 2-(2-sulfanylethyl)undec-10-enamide.

Molecular Properties

Compound Name2-(2-sulfanylethyl)undec-10-enamide
PubChem CID123962158
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name2-(2-sulfanylethyl)undec-10-enamide
SMILESC=CCCCCCCCC(CCS)C(N)=O
InChIInChI=1S/C13H25NOS/c1-2-3-4-5-6-7-8-9-12(10-11-16)13(14)15/h2,12,16H,1,3-11H2,(H2,14,15)
InChIKeyYUADKIYYZLSMRI-UHFFFAOYSA-N
XLogP3.32
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
2-prop-2-enyldodec-11-enoic acid
CID 88827199
2-prop-2-enyldec-9-enoic acid
CID 90413259
2-methylpropyl 2-oct-7-enyldec-9-enoate
CID 177270214
2-hexadecylicos-11-enamide
CID 173011844
(2S)-2-amino-4-dec-9-enylpentanedioic acid
CID 18396854
2-pentyldec-9-enoic acid
CID 175975601
2-oct-7-enylpentanedioic acid
CID 45359271
nonadec-18-enamide
CID 166991988
ethene;2-hexadecyloctadecanamide
CID 87836706
ethyl 2-ethyloct-7-enoate
CID 175101308
2-octyldecanamide
CID 19104479

Frequently Asked Questions

What is the IUPAC name of 2-(2-sulfanylethyl)undec-10-enamide?
The IUPAC name of 2-(2-sulfanylethyl)undec-10-enamide (CID 123962158) is 2-(2-sulfanylethyl)undec-10-enamide.
What is the SMILES notation for 2-(2-sulfanylethyl)undec-10-enamide?
The canonical SMILES for 2-(2-sulfanylethyl)undec-10-enamide is C=CCCCCCCCC(CCS)C(N)=O.
What is the InChIKey of 2-(2-sulfanylethyl)undec-10-enamide?
The InChIKey is YUADKIYYZLSMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-2-3-4-5-6-7-8-9-12(10-11-16)13(14)15/h2,12,16H,1,3-11H2,(H2,14,15).
What are the key properties of 2-(2-sulfanylethyl)undec-10-enamide?
2-(2-sulfanylethyl)undec-10-enamide has a molecular weight of 243.42 g/mol, XLogP of 3.32, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethyl)undec-10-enamide is sourced from PubChem (CID 123962158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).