2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane

C14H22N2O2S2 — CID 102850015

IUPAC2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCc1ccc(S(=O)(=O)N2CCCC3(CCCNC3)C2)s1
InChIInChI=1S/C14H22N2O2S2/c1-12-4-5-13(19-12)20(17,18)16-9-3-7-14(11-16)6-2-8-15-10-14/h4-5,15H,2-3,6-11H2,1H3
InChIKeyYGFGTUMIIDJWLV-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.21
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane

2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane (PubChem CID 102850015) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
PubChem CID102850015
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
SMILESCc1ccc(S(=O)(=O)N2CCCC3(CCCNC3)C2)s1
InChIInChI=1S/C14H22N2O2S2/c1-12-4-5-13(19-12)20(17,18)16-9-3-7-14(11-16)6-2-8-15-10-14/h4-5,15H,2-3,6-11H2,1H3
InChIKeyYGFGTUMIIDJWLV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane (CID 102850015) is 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane is Cc1ccc(S(=O)(=O)N2CCCC3(CCCNC3)C2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
The InChIKey is YGFGTUMIIDJWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-12-4-5-13(19-12)20(17,18)16-9-3-7-14(11-16)6-2-8-15-10-14/h4-5,15H,2-3,6-11H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane?
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane has a molecular weight of 314.48 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).