2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane

C8H17NS — CID 21021851

IUPAC2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane
SMILESCN1CC2(C1)CS(C)(C)C2
InChIInChI=1S/C8H17NS/c1-9-4-8(5-9)6-10(2,3)7-8/h4-7H2,1-3H3
InChIKeySYZXIYCBPCCNFQ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.00
Rot. Bonds

About 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane

2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane (PubChem CID 21021851) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane
PubChem CID21021851
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane
SMILESCN1CC2(C1)CS(C)(C)C2
InChIInChI=1S/C8H17NS/c1-9-4-8(5-9)6-10(2,3)7-8/h4-7H2,1-3H3
InChIKeySYZXIYCBPCCNFQ-UHFFFAOYSA-N
XLogP1.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane?
The IUPAC name of 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane (CID 21021851) is 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane.
What is the SMILES notation for 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane?
The canonical SMILES for 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane is CN1CC2(C1)CS(C)(C)C2.
What is the InChIKey of 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane?
The InChIKey is SYZXIYCBPCCNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-4-8(5-9)6-10(2,3)7-8/h4-7H2,1-3H3.
What are the key properties of 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane?
2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane has a molecular weight of 159.30 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-2λ4-thia-6-azaspiro[3.3]heptane is sourced from PubChem (CID 21021851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).