[(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine

C12H18N2S — CID 96583895

IUPAC[(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine
SMILESNN[C@H]1CCCC[C@H]1Sc1ccccc1
InChIInChI=1S/C12H18N2S/c13-14-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9,13H2/t11-,12+/m0/s1
InChIKeyHJAWWOWOABORFU-NWDGAFQWSA-N
MW222.36 g/mol
LogP2.55
Rot. Bonds3

About [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine

[(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine (PubChem CID 96583895) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine.

Molecular Properties

Compound Name[(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine
PubChem CID96583895
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name[(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine
SMILESNN[C@H]1CCCC[C@H]1Sc1ccccc1
InChIInChI=1S/C12H18N2S/c13-14-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9,13H2/t11-,12+/m0/s1
InChIKeyHJAWWOWOABORFU-NWDGAFQWSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Phenylsulfanyl)pentan-1-amine
CID 15227684
trans-2-Phenylthiocyclohexylamine
CID 13403702
2-(Phenylsulfanyl)cyclohexan-1-amine
CID 13403701
[(2S,3R)-3-phenylsulfanylbutan-2-yl]hydrazine
CID 13403673
[(2S,3S)-3-phenylsulfanylbutan-2-yl]hydrazine
CID 96015162
4-[(4-Fluorophenyl)sulfanyl]cyclohexan-1-amine
CID 62806008
4-(2-Fluorophenyl)sulfanylcyclohexan-1-amine
CID 62808672
2-(2,4-Difluorophenyl)sulfanylcyclohexan-1-amine
CID 64614744
2-(3,4-Difluorophenyl)sulfanylcyclohexan-1-amine
CID 64615360
2-(4-Fluorophenyl)sulfanylcyclohexan-1-amine
CID 64620702
2-(2-Fluorophenyl)sulfanylcyclohexan-1-amine
CID 64621047
2-(2,5-Difluorophenyl)sulfanylcyclohexan-1-amine
CID 64648674

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine?
The IUPAC name of [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine (CID 96583895) is [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine.
What is the SMILES notation for [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine?
The canonical SMILES for [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine is NN[C@H]1CCCC[C@H]1Sc1ccccc1.
What is the InChIKey of [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine?
The InChIKey is HJAWWOWOABORFU-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H18N2S/c13-14-11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9,13H2/t11-,12+/m0/s1.
What are the key properties of [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine?
[(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine has a molecular weight of 222.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-phenylsulfanylcyclohexyl]hydrazine is sourced from PubChem (CID 96583895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).