[(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine

C11H17N3S — CID 29039739

IUPAC[(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine
SMILESCC1(C)[C@H]2CC[C@]1(C)c1nc(NN)sc12
InChIInChI=1S/C11H17N3S/c1-10(2)6-4-5-11(10,3)8-7(6)15-9(13-8)14-12/h6H,4-5,12H2,1-3H3,(H,13,14)/t6-,11+/m0/s1
InChIKeyNJBLDAVBXVRRRS-UPONEAKYSA-N
MW223.34 g/mol
LogP2.60
Rot. Bonds1

About [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine

[(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine (PubChem CID 29039739) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine.

Molecular Properties

Compound Name[(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine
PubChem CID29039739
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name[(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine
SMILESCC1(C)[C@H]2CC[C@]1(C)c1nc(NN)sc12
InChIInChI=1S/C11H17N3S/c1-10(2)6-4-5-11(10,3)8-7(6)15-9(13-8)14-12/h6H,4-5,12H2,1-3H3,(H,13,14)/t6-,11+/m0/s1
InChIKeyNJBLDAVBXVRRRS-UPONEAKYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine?
The IUPAC name of [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine (CID 29039739) is [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine.
What is the SMILES notation for [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine?
The canonical SMILES for [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine is CC1(C)[C@H]2CC[C@]1(C)c1nc(NN)sc12.
What is the InChIKey of [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine?
The InChIKey is NJBLDAVBXVRRRS-UPONEAKYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-10(2)6-4-5-11(10,3)8-7(6)15-9(13-8)14-12/h6H,4-5,12H2,1-3H3,(H,13,14)/t6-,11+/m0/s1.
What are the key properties of [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine?
[(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine has a molecular weight of 223.34 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,7S)-7,10,10-trimethyl-3-thia-5-azatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]hydrazine is sourced from PubChem (CID 29039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).