8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile

C9H14N2S — CID 82407528

IUPAC8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile
SMILESN#CC1(N)CCSC2(CCC2)C1
InChIInChI=1S/C9H14N2S/c10-7-8(11)4-5-12-9(6-8)2-1-3-9/h1-6,11H2
InChIKeyIJHKDJBZVCKKEC-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.66
Rot. Bonds

About 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile

8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile (PubChem CID 82407528) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile.

Molecular Properties

Compound Name8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile
PubChem CID82407528
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile
SMILESN#CC1(N)CCSC2(CCC2)C1
InChIInChI=1S/C9H14N2S/c10-7-8(11)4-5-12-9(6-8)2-1-3-9/h1-6,11H2
InChIKeyIJHKDJBZVCKKEC-UHFFFAOYSA-N
XLogP1.66
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-1,9-dioxaspiro[5.5]undecane-4-carbonitrile
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1,4-diaminopiperidine-4-carbonitrile
CID 142484897
1-thiaspiro[5.5]undecan-4-amine
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1-amino-3,4-dimethylcyclohexane-1-carbonitrile
CID 64745262
2-methylthiolane-2-carbonitrile
CID 58894061
(2R)-2-methylthiolane-2-carbonitrile
CID 97036581
3-amino-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonane-3-carbonitrile
CID 171936484
3-aminooxolane-3-carbonitrile;hydrochloride
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2-(1-aminocyclopentyl)acetonitrile
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Frequently Asked Questions

What is the IUPAC name of 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile?
The IUPAC name of 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile (CID 82407528) is 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile.
What is the SMILES notation for 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile?
The canonical SMILES for 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile is N#CC1(N)CCSC2(CCC2)C1.
What is the InChIKey of 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile?
The InChIKey is IJHKDJBZVCKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-7-8(11)4-5-12-9(6-8)2-1-3-9/h1-6,11H2.
What are the key properties of 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile?
8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile has a molecular weight of 182.29 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-5-thiaspiro[3.5]nonane-8-carbonitrile is sourced from PubChem (CID 82407528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).