1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide

C10H19NO2S — CID 159419663

IUPAC1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
SMILESCC(C)N1CCC12CCS(=O)(=O)CC2
InChIInChI=1S/C10H19NO2S/c1-9(2)11-6-3-10(11)4-7-14(12,13)8-5-10/h9H,3-8H2,1-2H3
InChIKeySMZSUSHPXYCZAC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.05
Rot. Bonds1

About 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide

1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 159419663) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID159419663
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
SMILESCC(C)N1CCC12CCS(=O)(=O)CC2
InChIInChI=1S/C10H19NO2S/c1-9(2)11-6-3-10(11)4-7-14(12,13)8-5-10/h9H,3-8H2,1-2H3
InChIKeySMZSUSHPXYCZAC-UHFFFAOYSA-N
XLogP1.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide (CID 159419663) is 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide is CC(C)N1CCC12CCS(=O)(=O)CC2.
What is the InChIKey of 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is SMZSUSHPXYCZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-9(2)11-6-3-10(11)4-7-14(12,13)8-5-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide has a molecular weight of 217.33 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 159419663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).