(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide

C9H15NOS — CID 164658776

IUPAC(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide
SMILESCS(=O)/N=C1\CCC12CCCC2
InChIInChI=1S/C9H15NOS/c1-12(11)10-8-4-7-9(8)5-2-3-6-9/h2-7H2,1H3/b10-8+
InChIKeyAQABKSKUDWTJEB-CSKARUKUSA-N
MW185.29 g/mol
LogP2.08
Rot. Bonds1

About (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide

(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide (PubChem CID 164658776) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide.

Molecular Properties

Compound Name(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide
PubChem CID164658776
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide
SMILESCS(=O)/N=C1\CCC12CCCC2
InChIInChI=1S/C9H15NOS/c1-12(11)10-8-4-7-9(8)5-2-3-6-9/h2-7H2,1H3/b10-8+
InChIKeyAQABKSKUDWTJEB-CSKARUKUSA-N
XLogP2.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide?
The IUPAC name of (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide (CID 164658776) is (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide.
What is the SMILES notation for (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide?
The canonical SMILES for (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide is CS(=O)/N=C1\CCC12CCCC2.
What is the InChIKey of (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide?
The InChIKey is AQABKSKUDWTJEB-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NOS/c1-12(11)10-8-4-7-9(8)5-2-3-6-9/h2-7H2,1H3/b10-8+.
What are the key properties of (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide?
(NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide has a molecular weight of 185.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-spiro[3.4]octan-3-ylidenemethanesulfinamide is sourced from PubChem (CID 164658776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).