4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile

C15H19N3O4S — CID 95726512

IUPAC4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCO[C@]3(CNCCOC3)C2)cc1
InChIInChI=1S/C15H19N3O4S/c16-9-13-1-3-14(4-2-13)23(19,20)18-6-8-22-15(11-18)10-17-5-7-21-12-15/h1-4,17H,5-8,10-12H2/t15-/m1/s1
InChIKeyZKYYCWSWUBSCMA-OAHLLOKOSA-N
MW337.40 g/mol
LogP-0.06
Rot. Bonds2

About 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile

4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile (PubChem CID 95726512) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile.

Molecular Properties

Compound Name4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
PubChem CID95726512
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCO[C@]3(CNCCOC3)C2)cc1
InChIInChI=1S/C15H19N3O4S/c16-9-13-1-3-14(4-2-13)23(19,20)18-6-8-22-15(11-18)10-17-5-7-21-12-15/h1-4,17H,5-8,10-12H2/t15-/m1/s1
InChIKeyZKYYCWSWUBSCMA-OAHLLOKOSA-N
XLogP-0.06
TPSA91.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile with MolForge

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Related Compounds

(6S)-4-(1-ethylpyrazol-4-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 95720503
4-(4-ethylpiperazin-1-yl)sulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 56896816
4-(6-oxa-9-azaspiro[4.5]decan-9-ylsulfonyl)aniline
CID 86790752
4-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylbenzonitrile
CID 102743888
4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3712210
4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 24692962
4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4-cyano-N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]benzenesulfonamide
CID 97255333
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039
4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 169160863
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylbenzonitrile
CID 120777230
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonylbenzonitrile
CID 81102847

Frequently Asked Questions

What is the IUPAC name of 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile?
The IUPAC name of 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile (CID 95726512) is 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile.
What is the SMILES notation for 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile?
The canonical SMILES for 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile is N#Cc1ccc(S(=O)(=O)N2CCO[C@]3(CNCCOC3)C2)cc1.
What is the InChIKey of 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile?
The InChIKey is ZKYYCWSWUBSCMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O4S/c16-9-13-1-3-14(4-2-13)23(19,20)18-6-8-22-15(11-18)10-17-5-7-21-12-15/h1-4,17H,5-8,10-12H2/t15-/m1/s1.
What are the key properties of 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile?
4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile has a molecular weight of 337.40 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]sulfonyl]benzonitrile is sourced from PubChem (CID 95726512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).