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

C15H21NO4S — CID 97419410

IUPAC(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C15H21NO4S/c1-19-13-10-15(20-11-13)8-5-9-16(12-15)21(17,18)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3/t13-,15+/m1/s1
InChIKeyCXZSTNKWXCPNGI-HIFRSBDPSA-N
MW311.40 g/mol
LogP1.65
Rot. Bonds3

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

(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97419410) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
PubChem CID97419410
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C15H21NO4S/c1-19-13-10-15(20-11-13)8-5-9-16(12-15)21(17,18)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3/t13-,15+/m1/s1
InChIKeyCXZSTNKWXCPNGI-HIFRSBDPSA-N
XLogP1.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.65
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
9-(4-Fluorophenyl)sulfonyl-4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecane
CID 91918122
(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)-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 (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane (CID 97419410) is (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane is CO[C@H]1CO[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is CXZSTNKWXCPNGI-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-19-13-10-15(20-11-13)8-5-9-16(12-15)21(17,18)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 311.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-9-(benzenesulfonyl)-3-methoxy-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97419410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).