[(S)-2-nitroethylsulfinyl]cyclohexane

C8H15NO3S — CID 125480175

IUPAC[(S)-2-nitroethylsulfinyl]cyclohexane
SMILESO=[N+]([O-])CC[S@](=O)C1CCCCC1
InChIInChI=1S/C8H15NO3S/c10-9(11)6-7-13(12)8-4-2-1-3-5-8/h8H,1-7H2/t13-/m0/s1
InChIKeyGIJWGFALKLIXNO-ZDUSSCGKSA-N
MW205.28 g/mol
LogP1.34
Rot. Bonds4

About [(S)-2-nitroethylsulfinyl]cyclohexane

[(S)-2-nitroethylsulfinyl]cyclohexane (PubChem CID 125480175) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is [(S)-2-nitroethylsulfinyl]cyclohexane.

Molecular Properties

Compound Name[(S)-2-nitroethylsulfinyl]cyclohexane
PubChem CID125480175
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name[(S)-2-nitroethylsulfinyl]cyclohexane
SMILESO=[N+]([O-])CC[S@](=O)C1CCCCC1
InChIInChI=1S/C8H15NO3S/c10-9(11)6-7-13(12)8-4-2-1-3-5-8/h8H,1-7H2/t13-/m0/s1
InChIKeyGIJWGFALKLIXNO-ZDUSSCGKSA-N
XLogP1.34
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Ethylsulfinyl-1-nitrohexane
CID 129040651
[(R)-2-nitroethylsulfinyl]cyclohexane
CID 125480174
2-Nitroethylsulfanylcyclohexane
CID 125480216

Frequently Asked Questions

What is the IUPAC name of [(S)-2-nitroethylsulfinyl]cyclohexane?
The IUPAC name of [(S)-2-nitroethylsulfinyl]cyclohexane (CID 125480175) is [(S)-2-nitroethylsulfinyl]cyclohexane.
What is the SMILES notation for [(S)-2-nitroethylsulfinyl]cyclohexane?
The canonical SMILES for [(S)-2-nitroethylsulfinyl]cyclohexane is O=[N+]([O-])CC[S@](=O)C1CCCCC1.
What is the InChIKey of [(S)-2-nitroethylsulfinyl]cyclohexane?
The InChIKey is GIJWGFALKLIXNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C8H15NO3S/c10-9(11)6-7-13(12)8-4-2-1-3-5-8/h8H,1-7H2/t13-/m0/s1.
What are the key properties of [(S)-2-nitroethylsulfinyl]cyclohexane?
[(S)-2-nitroethylsulfinyl]cyclohexane has a molecular weight of 205.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-2-nitroethylsulfinyl]cyclohexane is sourced from PubChem (CID 125480175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).