2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane

C14H22N2O3S2 — CID 126823375

IUPAC2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCOc1ccsc1S(=O)(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C14H22N2O3S2/c1-15-7-4-14(5-8-15)6-9-16(11-14)21(17,18)13-12(19-2)3-10-20-13/h3,10H,4-9,11H2,1-2H3
InChIKeyJMHQDFCZKKMZGN-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.86
Rot. Bonds3

About 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane

2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 126823375) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID126823375
Molecular FormulaC14H22N2O3S2
Molecular Weight330.47 g/mol
Exact Mass330.11
IUPAC Name2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCOc1ccsc1S(=O)(=O)N1CCC2(CCN(C)CC2)C1
InChIInChI=1S/C14H22N2O3S2/c1-15-7-4-14(5-8-15)6-9-16(11-14)21(17,18)13-12(19-2)3-10-20-13/h3,10H,4-9,11H2,1-2H3
InChIKeyJMHQDFCZKKMZGN-UHFFFAOYSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane (CID 126823375) is 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane is COc1ccsc1S(=O)(=O)N1CCC2(CCN(C)CC2)C1.
What is the InChIKey of 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is JMHQDFCZKKMZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-15-7-4-14(5-8-15)6-9-16(11-14)21(17,18)13-12(19-2)3-10-20-13/h3,10H,4-9,11H2,1-2H3.
What are the key properties of 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane?
2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 330.47 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythiophen-2-yl)sulfonyl-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 126823375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).