(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

C17H23NO4S — CID 97419934

IUPAC(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1ccccc1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1
InChIInChI=1S/C17H23NO4S/c19-23(20,16-4-2-1-3-5-16)18-9-8-17(13-18)10-15(12-22-17)21-11-14-6-7-14/h1-5,14-15H,6-13H2/t15-,17+/m1/s1
InChIKeyDWPNWSIYMRMYHQ-WBVHZDCISA-N
MW337.44 g/mol
LogP2.04
Rot. Bonds5

About (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97419934) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97419934
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1ccccc1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1
InChIInChI=1S/C17H23NO4S/c19-23(20,16-4-2-1-3-5-16)18-9-8-17(13-18)10-15(12-22-17)21-11-14-6-7-14/h1-5,14-15H,6-13H2/t15-,17+/m1/s1
InChIKeyDWPNWSIYMRMYHQ-WBVHZDCISA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (CID 97419934) is (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is O=S(=O)(c1ccccc1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1.
What is the InChIKey of (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is DWPNWSIYMRMYHQ-WBVHZDCISA-N. The full InChI is InChI=1S/C17H23NO4S/c19-23(20,16-4-2-1-3-5-16)18-9-8-17(13-18)10-15(12-22-17)21-11-14-6-7-14/h1-5,14-15H,6-13H2/t15-,17+/m1/s1.
What are the key properties of (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 337.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97419934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).