2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane

C10H19NS — CID 166054937

IUPAC2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCSCC2)C1
InChIInChI=1S/C10H19NS/c1-9(2)11-7-10(8-11)3-5-12-6-4-10/h9H,3-8H2,1-2H3
InChIKeyCESAVWQTXQOPEC-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.22
Rot. Bonds1

About 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane

2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane (PubChem CID 166054937) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane
PubChem CID166054937
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane
SMILESCC(C)N1CC2(CCSCC2)C1
InChIInChI=1S/C10H19NS/c1-9(2)11-7-10(8-11)3-5-12-6-4-10/h9H,3-8H2,1-2H3
InChIKeyCESAVWQTXQOPEC-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-amine
CID 134436171
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
2-propan-2-yl-2-azaspiro[3.5]nonan-7-imine
CID 170719041
2-hydroxy-6-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 157227822
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
1-(7-propan-2-yl-2,7-diazaspiro[4.4]nonan-2-yl)ethanethiol
CID 130380883
8,8-dimethyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 134166256
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane (CID 166054937) is 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane is CC(C)N1CC2(CCSCC2)C1.
What is the InChIKey of 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane?
The InChIKey is CESAVWQTXQOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2)11-7-10(8-11)3-5-12-6-4-10/h9H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane?
2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane has a molecular weight of 185.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-thia-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166054937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).