2-methylidene-6-sulfanylnonanamide

C10H19NOS — CID 141133310

IUPAC2-methylidene-6-sulfanylnonanamide
SMILESC=C(CCCC(S)CCC)C(N)=O
InChIInChI=1S/C10H19NOS/c1-3-5-9(13)7-4-6-8(2)10(11)12/h9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyFQWMBKRSIISUCJ-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.30
Rot. Bonds7

About 2-methylidene-6-sulfanylnonanamide

2-methylidene-6-sulfanylnonanamide (PubChem CID 141133310) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 2-methylidene-6-sulfanylnonanamide.

Molecular Properties

Compound Name2-methylidene-6-sulfanylnonanamide
PubChem CID141133310
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name2-methylidene-6-sulfanylnonanamide
SMILESC=C(CCCC(S)CCC)C(N)=O
InChIInChI=1S/C10H19NOS/c1-3-5-9(13)7-4-6-8(2)10(11)12/h9,13H,2-7H2,1H3,(H2,11,12)
InChIKeyFQWMBKRSIISUCJ-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-sulfanylnonanamide?
The IUPAC name of 2-methylidene-6-sulfanylnonanamide (CID 141133310) is 2-methylidene-6-sulfanylnonanamide.
What is the SMILES notation for 2-methylidene-6-sulfanylnonanamide?
The canonical SMILES for 2-methylidene-6-sulfanylnonanamide is C=C(CCCC(S)CCC)C(N)=O.
What is the InChIKey of 2-methylidene-6-sulfanylnonanamide?
The InChIKey is FQWMBKRSIISUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-5-9(13)7-4-6-8(2)10(11)12/h9,13H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-methylidene-6-sulfanylnonanamide?
2-methylidene-6-sulfanylnonanamide has a molecular weight of 201.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-sulfanylnonanamide is sourced from PubChem (CID 141133310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).