7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane

C14H22N2O2S2 — CID 122556209

IUPAC7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCCC3(CCNC3)C2)c(C)s1
InChIInChI=1S/C14H22N2O2S2/c1-11-8-13(12(2)19-11)20(17,18)16-7-3-4-14(10-16)5-6-15-9-14/h8,15H,3-7,9-10H2,1-2H3
InChIKeyVEBIXMZZSHAWPH-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.13
Rot. Bonds2

About 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane

7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane (PubChem CID 122556209) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
PubChem CID122556209
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCCC3(CCNC3)C2)c(C)s1
InChIInChI=1S/C14H22N2O2S2/c1-11-8-13(12(2)19-11)20(17,18)16-7-3-4-14(10-16)5-6-15-9-14/h8,15H,3-7,9-10H2,1-2H3
InChIKeyVEBIXMZZSHAWPH-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dibromothiophen-3-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849983
2-(2-methylphenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850032
2-(5-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102850015
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidine
CID 718928
7-(2,3-dichlorophenyl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 56747043
(5S)-7-(6-methylquinolin-8-yl)sulfonyl-2,7-diazaspiro[4.5]decane
CID 125436956
2-(2-fluorophenyl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 102849967
4-[5-(2,7-diazaspiro[4.5]decan-7-ylsulfonyl)thiophen-2-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 154915776
5-(2,5-dimethylthiophen-3-yl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210855
1-(2,5-dimethylthiophen-3-yl)sulfonylpiperidin-4-amine
CID 43556372
1-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4-diazepan-5-one
CID 60709201
(3R)-1-(2,5-dimethylthiophen-3-yl)sulfonyl-3-methylpiperazine
CID 104975146

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane (CID 122556209) is 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane is Cc1cc(S(=O)(=O)N2CCCC3(CCNC3)C2)c(C)s1.
What is the InChIKey of 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
The InChIKey is VEBIXMZZSHAWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-11-8-13(12(2)19-11)20(17,18)16-7-3-4-14(10-16)5-6-15-9-14/h8,15H,3-7,9-10H2,1-2H3.
What are the key properties of 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane?
7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane has a molecular weight of 314.48 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylthiophen-3-yl)sulfonyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 122556209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).