[(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol

C8H14N2OS — CID 172957966

IUPAC[(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol
SMILESCN1C2CCC1/C(=N\OCS)C2
InChIInChI=1S/C8H14N2OS/c1-10-6-2-3-8(10)7(4-6)9-11-5-12/h6,8,12H,2-5H2,1H3/b9-7-
InChIKeyFPYGUEXNWYYOEC-CLFYSBASSA-N
MW186.28 g/mol
LogP1.11
Rot. Bonds2

About [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol

[(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol (PubChem CID 172957966) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol.

Molecular Properties

Compound Name[(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol
PubChem CID172957966
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name[(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol
SMILESCN1C2CCC1/C(=N\OCS)C2
InChIInChI=1S/C8H14N2OS/c1-10-6-2-3-8(10)7(4-6)9-11-5-12/h6,8,12H,2-5H2,1H3/b9-7-
InChIKeyFPYGUEXNWYYOEC-CLFYSBASSA-N
XLogP1.11
TPSA24.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 121183361
N-[(E)-(2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino]-N-methylmethanamine
CID 177436667
8-methyl-N-prop-1-enoxy-8-azabicyclo[3.2.1]octan-3-imine
CID 141422074
(5S)-8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane
CID 89337063
(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 6338849
8-methyl-8-azabicyclo[3.2.1]octane-3-thione
CID 18009150
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)hydroxylamine;hydrochloride
CID 2737441
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene]hydroxylamine;hydrochloride
CID 56737749
2-[(1R,9S)-12-methyl-4-oxo-5,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,6-dien-5-yl]acetic acid
CID 129370359
8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 3057566
[(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)amino] N-ethylcarbamate
CID 557688
(11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-dien-4-yl)methanol
CID 62922536

Frequently Asked Questions

What is the IUPAC name of [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol?
The IUPAC name of [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol (CID 172957966) is [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol.
What is the SMILES notation for [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol?
The canonical SMILES for [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol is CN1C2CCC1/C(=N\OCS)C2.
What is the InChIKey of [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol?
The InChIKey is FPYGUEXNWYYOEC-CLFYSBASSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-10-6-2-3-8(10)7(4-6)9-11-5-12/h6,8,12H,2-5H2,1H3/b9-7-.
What are the key properties of [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol?
[(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol has a molecular weight of 186.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(7-methyl-7-azabicyclo[2.2.1]heptan-2-ylidene)amino]oxymethanethiol is sourced from PubChem (CID 172957966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).