10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C18H28N2O4S2 — CID 155875489

IUPAC10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1ccsc1S(=O)(=O)N1CCOCC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H28N2O4S2/c1-15-4-11-25-17(15)26(21,22)20-7-10-24-14-18(13-20)5-6-19(12-18)16-2-8-23-9-3-16/h4,11,16H,2-3,5-10,12-14H2,1H3
InChIKeyOKWMVKPGWYVXCI-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.95
Rot. Bonds3

About 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 155875489) has the molecular formula C18H28N2O4S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID155875489
Molecular FormulaC18H28N2O4S2
Molecular Weight400.57 g/mol
Exact Mass400.15
IUPAC Name10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1ccsc1S(=O)(=O)N1CCOCC2(CCN(C3CCOCC3)C2)C1
InChIInChI=1S/C18H28N2O4S2/c1-15-4-11-25-17(15)26(21,22)20-7-10-24-14-18(13-20)5-6-19(12-18)16-2-8-23-9-3-16/h4,11,16H,2-3,5-10,12-14H2,1H3
InChIKeyOKWMVKPGWYVXCI-UHFFFAOYSA-N
XLogP1.95
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 155875489) is 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1ccsc1S(=O)(=O)N1CCOCC2(CCN(C3CCOCC3)C2)C1.
What is the InChIKey of 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is OKWMVKPGWYVXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S2/c1-15-4-11-25-17(15)26(21,22)20-7-10-24-14-18(13-20)5-6-19(12-18)16-2-8-23-9-3-16/h4,11,16H,2-3,5-10,12-14H2,1H3.
What are the key properties of 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 400.57 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 155875489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).