(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide

C15H17FN2O2S — CID 26785346

IUPAC(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H17FN2O2S/c16-12-8-4-5-9-13(12)21-10-14(19)17-18-15(20)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyLQTIQNCKNUDZJU-LLVKDONJSA-N
MW308.38 g/mol
LogP2.42
Rot. Bonds4

About (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide

(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide (PubChem CID 26785346) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide.

Molecular Properties

Compound Name(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide
PubChem CID26785346
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide
SMILESO=C(CSc1ccccc1F)NNC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C15H17FN2O2S/c16-12-8-4-5-9-13(12)21-10-14(19)17-18-15(20)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyLQTIQNCKNUDZJU-LLVKDONJSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N'-(2-phenylacetyl)cyclohex-3-ene-1-carbohydrazide
CID 766579
2-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 94414053
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2,2-diphenylacetohydrazide
CID 9418013
N'-[2-(1H-indol-3-yl)acetyl]cyclohex-3-ene-1-carbohydrazide
CID 46656997
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 11919710
1-cycloheptyl-2-(2-fluorophenyl)sulfanylethanone
CID 82931688
N'-(2-phenylsulfanylacetyl)cyclohexanecarbohydrazide
CID 2122299
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclohexane-1-carboxylic acid
CID 64812300
(1S)-N-[[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95986165
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603

Frequently Asked Questions

What is the IUPAC name of (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide?
The IUPAC name of (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide (CID 26785346) is (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide.
What is the SMILES notation for (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide?
The canonical SMILES for (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide is O=C(CSc1ccccc1F)NNC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide?
The InChIKey is LQTIQNCKNUDZJU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-12-8-4-5-9-13(12)21-10-14(19)17-18-15(20)11-6-2-1-3-7-11/h1-2,4-5,8-9,11H,3,6-7,10H2,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide?
(1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide has a molecular weight of 308.38 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-[2-(2-fluorophenyl)sulfanylacetyl]cyclohex-3-ene-1-carbohydrazide is sourced from PubChem (CID 26785346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).