6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide

C15H20N4O2S — CID 129432077

IUPAC6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCC1(C)[C@H]2CC=C(C=NNc3ccc(S(N)(=O)=O)cn3)[C@H]1C2
InChIInChI=1S/C15H20N4O2S/c1-15(2)11-4-3-10(13(15)7-11)8-18-19-14-6-5-12(9-17-14)22(16,20)21/h3,5-6,8-9,11,13H,4,7H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-,13+/m0/s1
InChIKeyWMCVBUPXMNCKEL-WCQYABFASA-N
MW320.42 g/mol
LogP2.12
Rot. Bonds4

About 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide

6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide (PubChem CID 129432077) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
PubChem CID129432077
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
SMILESCC1(C)[C@H]2CC=C(C=NNc3ccc(S(N)(=O)=O)cn3)[C@H]1C2
InChIInChI=1S/C15H20N4O2S/c1-15(2)11-4-3-10(13(15)7-11)8-18-19-14-6-5-12(9-17-14)22(16,20)21/h3,5-6,8-9,11,13H,4,7H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-,13+/m0/s1
InChIKeyWMCVBUPXMNCKEL-WCQYABFASA-N
XLogP2.12
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide (CID 129432077) is 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide is CC1(C)[C@H]2CC=C(C=NNc3ccc(S(N)(=O)=O)cn3)[C@H]1C2.
What is the InChIKey of 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
The InChIKey is WMCVBUPXMNCKEL-WCQYABFASA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-15(2)11-4-3-10(13(15)7-11)8-18-19-14-6-5-12(9-17-14)22(16,20)21/h3,5-6,8-9,11,13H,4,7H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-,13+/m0/s1.
What are the key properties of 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide?
6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide has a molecular weight of 320.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide is sourced from PubChem (CID 129432077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).