N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine

C10H19NS — CID 89185776

IUPACN-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine
SMILESC[C@@H]1[C@H]2C[C@@H](C[C@H]1NS)C2(C)C
InChIInChI=1S/C10H19NS/c1-6-8-4-7(10(8,2)3)5-9(6)11-12/h6-9,11-12H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyFNXZATQHNJRVFK-BZNPZCIMSA-N
MW185.34 g/mol
LogP2.49
Rot. Bonds1

About N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine

N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine (PubChem CID 89185776) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine
PubChem CID89185776
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine
SMILESC[C@@H]1[C@H]2C[C@@H](C[C@H]1NS)C2(C)C
InChIInChI=1S/C10H19NS/c1-6-8-4-7(10(8,2)3)5-9(6)11-12/h6-9,11-12H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyFNXZATQHNJRVFK-BZNPZCIMSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine?
The IUPAC name of N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine (CID 89185776) is N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine.
What is the SMILES notation for N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine?
The canonical SMILES for N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine is C[C@@H]1[C@H]2C[C@@H](C[C@H]1NS)C2(C)C.
What is the InChIKey of N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine?
The InChIKey is FNXZATQHNJRVFK-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H19NS/c1-6-8-4-7(10(8,2)3)5-9(6)11-12/h6-9,11-12H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine?
N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine has a molecular weight of 185.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]thiohydroxylamine is sourced from PubChem (CID 89185776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).