(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane

C16H23NO4S — CID 97419674

IUPAC(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCCO[C@@H]1CO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C16H23NO4S/c1-2-20-14-11-16(21-12-14)9-6-10-17(13-16)22(18,19)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3/t14-,16-/m0/s1
InChIKeySKYTZWUCUMBFBY-HOCLYGCPSA-N
MW325.43 g/mol
LogP2.04
Rot. Bonds4

About (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane

(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419674) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419674
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCCO[C@@H]1CO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C16H23NO4S/c1-2-20-14-11-16(21-12-14)9-6-10-17(13-16)22(18,19)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3/t14-,16-/m0/s1
InChIKeySKYTZWUCUMBFBY-HOCLYGCPSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane 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
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-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97419703
(3R,5S)-7-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419934
(3R,5S)-9-(benzenesulfonyl)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 97423041
1-[(3S,3aR,7aR)-5-(benzenesulfonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N,N-dimethylmethanamine
CID 97459918
(3aS,5S,7aS)-5-(methoxymethyl)-1-(3-methylphenyl)sulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460535
(3aS,5S,7aS)-5-(methoxymethyl)-1-(4-methylphenyl)sulfonyl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460545
(3aS,5R,7aS)-1-(benzenesulfonyl)-5-(methoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461111

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane (CID 97419674) is (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane is CCO[C@@H]1CO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is SKYTZWUCUMBFBY-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-2-20-14-11-16(21-12-14)9-6-10-17(13-16)22(18,19)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane?
(3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 325.43 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-9-(benzenesulfonyl)-3-ethoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).