2-nitrososulfanylbicyclo[2.2.1]heptane

C7H11NOS — CID 162522476

IUPAC2-nitrososulfanylbicyclo[2.2.1]heptane
SMILESO=NSC1CC2CCC1C2
InChIInChI=1S/C7H11NOS/c9-8-10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyKUNIRBTWPOCXFL-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.59
Rot. Bonds2

About 2-nitrososulfanylbicyclo[2.2.1]heptane

2-nitrososulfanylbicyclo[2.2.1]heptane (PubChem CID 162522476) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-nitrososulfanylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-nitrososulfanylbicyclo[2.2.1]heptane
PubChem CID162522476
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-nitrososulfanylbicyclo[2.2.1]heptane
SMILESO=NSC1CC2CCC1C2
InChIInChI=1S/C7H11NOS/c9-8-10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2
InChIKeyKUNIRBTWPOCXFL-UHFFFAOYSA-N
XLogP2.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-nitrososulfanylbicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-bicyclo[2.2.1]heptanylsulfanyl)methanethione
CID 87474944
2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropanoic acid
CID 130494260
1-(2-bicyclo[2.2.1]heptanylsulfanyl)propane-2-sulfonate
CID 156663628
2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol
CID 130708735
2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyridine
CID 10998160
2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]sulfanyl]pyrazine
CID 100707717
2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane
CID 87476097
tricyclo[5.3.2.04,9]dodecane
CID 54490019
(2S)-bicyclo[3.1.1]heptan-2-amine
CID 148819936
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
CID 57358132
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689

Frequently Asked Questions

What is the IUPAC name of 2-nitrososulfanylbicyclo[2.2.1]heptane?
The IUPAC name of 2-nitrososulfanylbicyclo[2.2.1]heptane (CID 162522476) is 2-nitrososulfanylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-nitrososulfanylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-nitrososulfanylbicyclo[2.2.1]heptane is O=NSC1CC2CCC1C2.
What is the InChIKey of 2-nitrososulfanylbicyclo[2.2.1]heptane?
The InChIKey is KUNIRBTWPOCXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c9-8-10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2.
What are the key properties of 2-nitrososulfanylbicyclo[2.2.1]heptane?
2-nitrososulfanylbicyclo[2.2.1]heptane has a molecular weight of 157.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrososulfanylbicyclo[2.2.1]heptane is sourced from PubChem (CID 162522476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).