2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane

C19H40N2O2S — CID 159416150

IUPAC2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane
SMILESC.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19N.C8H17NO2S.CH4/c1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)9-4-6-12(10,11)7-5-9;/h4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyLPEMJRYKOBGEHR-UHFFFAOYSA-N
MW360.61 g/mol
LogP3.42
Rot. Bonds

About 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane

2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane (PubChem CID 159416150) has the molecular formula C19H40N2O2S and a molecular weight of 360.61 g/mol. Its IUPAC name is 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane.

Molecular Properties

Compound Name2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane
PubChem CID159416150
Molecular FormulaC19H40N2O2S
Molecular Weight360.61 g/mol
Exact Mass360.28
IUPAC Name2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane
SMILESC.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19N.C8H17NO2S.CH4/c1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)9-4-6-12(10,11)7-5-9;/h4-8H2,1-3H3;4-7H2,1-3H3;1H4
InChIKeyLPEMJRYKOBGEHR-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane?
The IUPAC name of 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane (CID 159416150) is 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane.
What is the SMILES notation for 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane?
The canonical SMILES for 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane is C.CC(C)(C)N1CC2(CCC2)C1.CC(C)(C)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane?
The InChIKey is LPEMJRYKOBGEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C8H17NO2S.CH4/c1-9(2,3)11-7-10(8-11)5-4-6-10;1-8(2,3)9-4-6-12(10,11)7-5-9;/h4-8H2,1-3H3;4-7H2,1-3H3;1H4.
What are the key properties of 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane?
2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane has a molecular weight of 360.61 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-azaspiro[3.3]heptane;4-tert-butyl-1,4-thiazinane 1,1-dioxide;methane is sourced from PubChem (CID 159416150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).