2-methyl-7-thia-2-azaspiro[3.5]nonane

C8H15NS — CID 139310138

IUPAC2-methyl-7-thia-2-azaspiro[3.5]nonane
SMILESCN1CC2(CCSCC2)C1
InChIInChI=1S/C8H15NS/c1-9-6-8(7-9)2-4-10-5-3-8/h2-7H2,1H3
InChIKeySHBNTANESVLMKR-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.45
Rot. Bonds

About 2-methyl-7-thia-2-azaspiro[3.5]nonane

2-methyl-7-thia-2-azaspiro[3.5]nonane (PubChem CID 139310138) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-methyl-7-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-thia-2-azaspiro[3.5]nonane
PubChem CID139310138
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-methyl-7-thia-2-azaspiro[3.5]nonane
SMILESCN1CC2(CCSCC2)C1
InChIInChI=1S/C8H15NS/c1-9-6-8(7-9)2-4-10-5-3-8/h2-7H2,1H3
InChIKeySHBNTANESVLMKR-UHFFFAOYSA-N
XLogP1.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-thia-2-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-thia-2-azaspiro[3.5]nonane (CID 139310138) is 2-methyl-7-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-thia-2-azaspiro[3.5]nonane is CN1CC2(CCSCC2)C1.
What is the InChIKey of 2-methyl-7-thia-2-azaspiro[3.5]nonane?
The InChIKey is SHBNTANESVLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-6-8(7-9)2-4-10-5-3-8/h2-7H2,1H3.
What are the key properties of 2-methyl-7-thia-2-azaspiro[3.5]nonane?
2-methyl-7-thia-2-azaspiro[3.5]nonane has a molecular weight of 157.28 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 139310138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).