9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane

C19H27NO4S — CID 91907701

IUPAC9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H27NO4S/c21-25(22,18-4-2-1-3-5-18)20-11-9-19(10-12-20)14-17(8-13-24-19)23-15-16-6-7-16/h1-5,16-17H,6-15H2
InChIKeyWWHYMCPDLKVDDM-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.82
Rot. Bonds5

About 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane

9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91907701) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91907701
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Name9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane
SMILESO=S(=O)(c1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C19H27NO4S/c21-25(22,18-4-2-1-3-5-18)20-11-9-19(10-12-20)14-17(8-13-24-19)23-15-16-6-7-16/h1-5,16-17H,6-15H2
InChIKeyWWHYMCPDLKVDDM-UHFFFAOYSA-N
XLogP2.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-Fluorobenzenesulfonyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91907683
4-(Cyclopropylmethoxy)-9-(4-fluorobenzenesulfonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91907702
9-(4-Fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
CID 91918122
(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419410
(3R,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419442
(3S,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419645
(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
CID 97419674
(3S,5S)-9-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97419703
(3R,5S)-9-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97423041
9-(Benzenesulfonyl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118740784
3-Ethoxy-8-(4-fluorophenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118740865
3-Ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118741140

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane (CID 91907701) is 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane is O=S(=O)(c1ccccc1)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is WWHYMCPDLKVDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c21-25(22,18-4-2-1-3-5-18)20-11-9-19(10-12-20)14-17(8-13-24-19)23-15-16-6-7-16/h1-5,16-17H,6-15H2.
What are the key properties of 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane?
9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 365.50 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91907701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).