nitrososulfanylmethylcyclohexane

C7H13NOS — CID 90392555

IUPACnitrososulfanylmethylcyclohexane
SMILESO=NSCC1CCCCC1
InChIInChI=1S/C7H13NOS/c9-8-10-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyPSSFSBKVFXABSS-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.98
Rot. Bonds3

About nitrososulfanylmethylcyclohexane

nitrososulfanylmethylcyclohexane (PubChem CID 90392555) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is nitrososulfanylmethylcyclohexane.

Molecular Properties

Compound Namenitrososulfanylmethylcyclohexane
PubChem CID90392555
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Namenitrososulfanylmethylcyclohexane
SMILESO=NSCC1CCCCC1
InChIInChI=1S/C7H13NOS/c9-8-10-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyPSSFSBKVFXABSS-UHFFFAOYSA-N
XLogP2.98
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitrososulfanylmethylcyclohexane?
The IUPAC name of nitrososulfanylmethylcyclohexane (CID 90392555) is nitrososulfanylmethylcyclohexane.
What is the SMILES notation for nitrososulfanylmethylcyclohexane?
The canonical SMILES for nitrososulfanylmethylcyclohexane is O=NSCC1CCCCC1.
What is the InChIKey of nitrososulfanylmethylcyclohexane?
The InChIKey is PSSFSBKVFXABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c9-8-10-6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of nitrososulfanylmethylcyclohexane?
nitrososulfanylmethylcyclohexane has a molecular weight of 159.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrososulfanylmethylcyclohexane is sourced from PubChem (CID 90392555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).