2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide

C18H26N2O6S2 — CID 71796869

IUPAC2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C18H26N2O6S2/c21-27(22)15-2-1-10-20(27)16-4-6-17(7-5-16)28(23,24)19-11-8-18(9-12-19)25-13-3-14-26-18/h4-7H,1-3,8-15H2
InChIKeyZHSMROGJCURLQY-UHFFFAOYSA-N
MW430.55 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide

2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide (PubChem CID 71796869) has the molecular formula C18H26N2O6S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide
PubChem CID71796869
Molecular FormulaC18H26N2O6S2
Molecular Weight430.55 g/mol
Exact Mass430.12
IUPAC Name2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide
SMILESO=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C18H26N2O6S2/c21-27(22)15-2-1-10-20(27)16-4-6-17(7-5-16)28(23,24)19-11-8-18(9-12-19)25-13-3-14-26-18/h4-7H,1-3,8-15H2
InChIKeyZHSMROGJCURLQY-UHFFFAOYSA-N
XLogP1.53
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide with MolForge

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Related Compounds

2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 7216463
2-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]thiazinane 1,1-dioxide
CID 7517124
9-(4-butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)benzoic acid
CID 23884260
9-(2-chlorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3766966
8-(4-ethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3379058
3-(4-methylphenyl)sulfonyl-7,8,16,17-tetraoxa-3-azadispiro[5.2.69.26]heptadecane
CID 171355643
9-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3858399
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
4-(1,1-dioxothiazinan-2-yl)aniline
CID 16642506

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide?
The IUPAC name of 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide (CID 71796869) is 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide.
What is the SMILES notation for 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide?
The canonical SMILES for 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide is O=S1(=O)CCCCN1c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1.
What is the InChIKey of 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide?
The InChIKey is ZHSMROGJCURLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S2/c21-27(22)15-2-1-10-20(27)16-4-6-17(7-5-16)28(23,24)19-11-8-18(9-12-19)25-13-3-14-26-18/h4-7H,1-3,8-15H2.
What are the key properties of 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide?
2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide has a molecular weight of 430.55 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,5-dioxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenyl]thiazinane 1,1-dioxide is sourced from PubChem (CID 71796869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).