6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane

C12H16ClNO2S2 — CID 168897980

IUPAC6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2(CCC2)CN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S2/c1-9-7-12(5-2-6-12)8-14(9)18(15,16)11-4-3-10(13)17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyXZXGENWYSRSVHI-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.35
Rot. Bonds2

About 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane

6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane (PubChem CID 168897980) has the molecular formula C12H16ClNO2S2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane
PubChem CID168897980
Molecular FormulaC12H16ClNO2S2
Molecular Weight305.85 g/mol
Exact Mass305.03
IUPAC Name6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane
SMILESCC1CC2(CCC2)CN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClNO2S2/c1-9-7-12(5-2-6-12)8-14(9)18(15,16)11-4-3-10(13)17-11/h3-4,9H,2,5-8H2,1H3
InChIKeyXZXGENWYSRSVHI-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane?
The IUPAC name of 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane (CID 168897980) is 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane is CC1CC2(CCC2)CN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane?
The InChIKey is XZXGENWYSRSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S2/c1-9-7-12(5-2-6-12)8-14(9)18(15,16)11-4-3-10(13)17-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane?
6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane has a molecular weight of 305.85 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)sulfonyl-7-methyl-6-azaspiro[3.4]octane is sourced from PubChem (CID 168897980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).