tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C16H28N2O5S — CID 126502866

IUPACtert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CO2
InChIInChI=1S/C16H28N2O5S/c1-15(2,3)23-14(19)18-8-6-16(7-9-18)10-12(11-22-16)17-24(20,21)13-4-5-13/h12-13,17H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyZDHQMIGHSFSOMU-GFCCVEGCSA-N
MW360.48 g/mol
LogP1.63
Rot. Bonds3

About tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 126502866) has the molecular formula C16H28N2O5S and a molecular weight of 360.48 g/mol. Its IUPAC name is tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID126502866
Molecular FormulaC16H28N2O5S
Molecular Weight360.48 g/mol
Exact Mass360.17
IUPAC Nametert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CO2
InChIInChI=1S/C16H28N2O5S/c1-15(2,3)23-14(19)18-8-6-16(7-9-18)10-12(11-22-16)17-24(20,21)13-4-5-13/h12-13,17H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyZDHQMIGHSFSOMU-GFCCVEGCSA-N
XLogP1.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 126502866) is tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CO2.
What is the InChIKey of tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is ZDHQMIGHSFSOMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28N2O5S/c1-15(2,3)23-14(19)18-8-6-16(7-9-18)10-12(11-22-16)17-24(20,21)13-4-5-13/h12-13,17H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 360.48 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(cyclopropylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 126502866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).