4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

C20H29NO4S — CID 91907705

IUPAC4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCc1ccccc1S(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C20H29NO4S/c1-16-4-2-3-5-19(16)26(22,23)21-11-9-20(10-12-21)14-18(8-13-25-20)24-15-17-6-7-17/h2-5,17-18H,6-15H2,1H3
InChIKeyRIDNYMCWFOJOSL-UHFFFAOYSA-N
MW379.52 g/mol
LogP3.12
Rot. Bonds5

About 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane

4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (PubChem CID 91907705) has the molecular formula C20H29NO4S and a molecular weight of 379.52 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
PubChem CID91907705
Molecular FormulaC20H29NO4S
Molecular Weight379.52 g/mol
Exact Mass379.18
IUPAC Name4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane
SMILESCc1ccccc1S(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2
InChIInChI=1S/C20H29NO4S/c1-16-4-2-3-5-19(16)26(22,23)21-11-9-20(10-12-21)14-18(8-13-25-20)24-15-17-6-7-17/h2-5,17-18H,6-15H2,1H3
InChIKeyRIDNYMCWFOJOSL-UHFFFAOYSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.52
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(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
5-(Methoxymethyl)-9-(2-methylphenyl)sulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 118740783
3-Ethoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 118741140
(3R*,4R*)-3-methyl-1-(phenylsulfonyl)-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72910114
9-(Benzenesulfonyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91907682
4-Methoxy-9-(2-methylbenzenesulfonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91907689
4-(Cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undec-9-yl phenyl sulfone
CID 91907701
4-(2-Methoxyethoxy)-9-(phenylsulfonyl)-1-oxa-9-azaspiro[5.5]undecane
CID 91907728

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane (CID 91907705) is 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is Cc1ccccc1S(=O)(=O)N1CCC2(CC1)CC(OCC1CC1)CCO2.
What is the InChIKey of 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
The InChIKey is RIDNYMCWFOJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4S/c1-16-4-2-3-5-19(16)26(22,23)21-11-9-20(10-12-21)14-18(8-13-25-20)24-15-17-6-7-17/h2-5,17-18H,6-15H2,1H3.
What are the key properties of 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane?
4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane has a molecular weight of 379.52 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-9-(2-methylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91907705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).