(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane

C16H24N2O3S — CID 124814263

IUPAC(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESC[C@@H]1CN(C)C[C@]12COCCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H24N2O3S/c1-14-10-17(2)11-16(14)12-18(8-9-21-13-16)22(19,20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyBSMSAUYNLULFIO-ZBFHGGJFSA-N
MW324.45 g/mol
LogP1.28
Rot. Bonds2

About (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane

(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 124814263) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID124814263
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESC[C@@H]1CN(C)C[C@]12COCCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C16H24N2O3S/c1-14-10-17(2)11-16(14)12-18(8-9-21-13-16)22(19,20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyBSMSAUYNLULFIO-ZBFHGGJFSA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzenesulfonyl)morpholine;ethane
CID 143200179
(4R,5S)-4-methyl-10-methylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472428
(3aR,6aR)-5-(benzenesulfonyl)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420502
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
10-(benzenesulfonyl)-6-propyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066774
3-(benzenesulfonyl)-3-azabicyclo[3.1.0]hexane
CID 77427931
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
2-[1-(benzenesulfonyl)piperidin-4-yl]-1-(3,3-dimethylmorpholin-4-yl)ethanone
CID 110353774
7-(benzenesulfonyl)-2-oxa-7-azaspiro[3.5]nonane
CID 97399392
1-(benzenesulfonyl)-4-morpholin-4-ylpyrrolidin-3-ol
CID 67536684

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane (CID 124814263) is (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane is C[C@@H]1CN(C)C[C@]12COCCN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is BSMSAUYNLULFIO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-14-10-17(2)11-16(14)12-18(8-9-21-13-16)22(19,20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane?
(4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 324.45 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-10-(benzenesulfonyl)-2,4-dimethyl-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 124814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).