4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide

C15H22N2OS — CID 129140731

IUPAC4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide
SMILESCC1=C(C)C(C)C(C2=CCC(C(=O)NN)CC2)=CS1
InChIInChI=1S/C15H22N2OS/c1-9-10(2)14(8-19-11(9)3)12-4-6-13(7-5-12)15(18)17-16/h4,8,10,13H,5-7,16H2,1-3H3,(H,17,18)
InChIKeyJOBVIGBPHNDCJM-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.26
Rot. Bonds2

About 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide

4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide (PubChem CID 129140731) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound Name4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide
PubChem CID129140731
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide
SMILESCC1=C(C)C(C)C(C2=CCC(C(=O)NN)CC2)=CS1
InChIInChI=1S/C15H22N2OS/c1-9-10(2)14(8-19-11(9)3)12-4-6-13(7-5-12)15(18)17-16/h4,8,10,13H,5-7,16H2,1-3H3,(H,17,18)
InChIKeyJOBVIGBPHNDCJM-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide (CID 129140731) is 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide is CC1=C(C)C(C)C(C2=CCC(C(=O)NN)CC2)=CS1.
What is the InChIKey of 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide?
The InChIKey is JOBVIGBPHNDCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-9-10(2)14(8-19-11(9)3)12-4-6-13(7-5-12)15(18)17-16/h4,8,10,13H,5-7,16H2,1-3H3,(H,17,18).
What are the key properties of 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide?
4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide has a molecular weight of 278.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6-trimethyl-4H-thiopyran-3-yl)cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 129140731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).