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

C17H30N2O5S — CID 146311377

IUPACtert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)CC1CC1)CO2
InChIInChI=1S/C17H30N2O5S/c1-16(2,3)24-15(20)19-8-6-17(7-9-19)10-14(11-23-17)18-25(21,22)12-13-4-5-13/h13-14,18H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyDWPZPVQUVYHVIE-CQSZACIVSA-N
MW374.50 g/mol
LogP1.87
Rot. Bonds4

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

tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 146311377) has the molecular formula C17H30N2O5S and a molecular weight of 374.50 g/mol. Its IUPAC name is tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID146311377
Molecular FormulaC17H30N2O5S
Molecular Weight374.50 g/mol
Exact Mass374.19
IUPAC Nametert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)CC1CC1)CO2
InChIInChI=1S/C17H30N2O5S/c1-16(2,3)24-15(20)19-8-6-17(7-9-19)10-14(11-23-17)18-25(21,22)12-13-4-5-13/h13-14,18H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyDWPZPVQUVYHVIE-CQSZACIVSA-N
XLogP1.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.50
LogP ≤ 51.87
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-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 146311377) is tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](NS(=O)(=O)CC1CC1)CO2.
What is the InChIKey of tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is DWPZPVQUVYHVIE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N2O5S/c1-16(2,3)24-15(20)19-8-6-17(7-9-19)10-14(11-23-17)18-25(21,22)12-13-4-5-13/h13-14,18H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 374.50 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(cyclopropylmethylsulfonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 146311377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).