1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine

C10H17NOS — CID 175694316

IUPAC1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(CC1=NOS)C2(C)C
InChIInChI=1S/C10H17NOS/c1-9(2)7-4-5-10(9,3)8(6-7)11-12-13/h7,13H,4-6H2,1-3H3
InChIKeyKCHGICOCVUKVGF-UHFFFAOYSA-N
MW199.32 g/mol
LogP3.05
Rot. Bonds1

About 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine

1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine (PubChem CID 175694316) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
PubChem CID175694316
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine
SMILESCC12CCC(CC1=NOS)C2(C)C
InChIInChI=1S/C10H17NOS/c1-9(2)7-4-5-10(9,3)8(6-7)11-12-13/h7,13H,4-6H2,1-3H3
InChIKeyKCHGICOCVUKVGF-UHFFFAOYSA-N
XLogP3.05
TPSA21.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(E,1S,4S)-1,7,7-trimethyl-N-[(E)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]bicyclo[2.2.1]heptan-2-imine
CID 124885950
N-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 45157399
(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazine
CID 7813883
(E)-1,7,7-trimethyl-N-prop-2-ynoxybicyclo[2.2.1]heptan-2-imine
CID 5361997
(E,1R,4R)-N-[tert-butyl(dimethyl)silyl]oxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 11065881
N-methyl-N-[(Z)-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]methanamine
CID 23308484
(E)-N-[(4-fluorophenyl)methoxy]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
CID 146675986
(1R,4R)-1,7,7-trimethyl-N-[4-[4-[[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]phenoxy]phenyl]bicyclo[2.2.1]heptan-2-imine
CID 90670986
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] adamantane-1-carboxylate
CID 123857460
[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] benzoate
CID 4633669
[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino] 4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 6383421
ethyl N-ethoxycarbonyl-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamate
CID 7173796

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine?
The IUPAC name of 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine (CID 175694316) is 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine is CC12CCC(CC1=NOS)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine?
The InChIKey is KCHGICOCVUKVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(2)7-4-5-10(9,3)8(6-7)11-12-13/h7,13H,4-6H2,1-3H3.
What are the key properties of 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine?
1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine has a molecular weight of 199.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-sulfanyloxybicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 175694316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).