7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane

C14H19NO5S2 — CID 136561853

IUPAC7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1sccc1C1OCCO1)N1CCC2(CCOC2)C1
InChIInChI=1S/C14H19NO5S2/c16-22(17,15-4-2-14(9-15)3-5-18-10-14)13-11(1-8-21-13)12-19-6-7-20-12/h1,8,12H,2-7,9-10H2
InChIKeyVUEGLWRCYIKCBI-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.59
Rot. Bonds3

About 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane

7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 136561853) has the molecular formula C14H19NO5S2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
PubChem CID136561853
Molecular FormulaC14H19NO5S2
Molecular Weight345.44 g/mol
Exact Mass345.07
IUPAC Name7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane
SMILESO=S(=O)(c1sccc1C1OCCO1)N1CCC2(CCOC2)C1
InChIInChI=1S/C14H19NO5S2/c16-22(17,15-4-2-14(9-15)3-5-18-10-14)13-11(1-8-21-13)12-19-6-7-20-12/h1,8,12H,2-7,9-10H2
InChIKeyVUEGLWRCYIKCBI-UHFFFAOYSA-N
XLogP1.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane with MolForge

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Related Compounds

10-(3-methylthiophen-2-yl)sulfonyl-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155875489
3-(1,3-dioxolan-2-yl)thiophene-2-sulfonic acid
CID 87472470
1,3-dimethyl-5-[[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]sulfonyl]benzimidazol-2-one
CID 97208631
(5S)-2-methyl-10-thiophen-2-ylsulfonyl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97471956
3-(1,3-dioxolan-2-yl)-N-propan-2-ylthiophene-2-sulfonamide
CID 19434035
3-(1,3-dioxolan-2-yl)-N-(4-hydroxybutyl)thiophene-2-sulfonamide
CID 19434018
8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
CID 63162262
2-chloro-4-(2-oxa-9-azaspiro[4.5]decan-9-ylsulfonyl)benzoic acid
CID 146133649
8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 155877780
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]-8-oxa-2-azaspiro[4.5]decane
CID 114279255
9-[(5,7-dimethyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]-2-oxa-9-azaspiro[4.5]decane
CID 72938317
2-thiophen-2-ylsulfonyl-2,7-diazaspiro[4.4]nonane
CID 82038199

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane (CID 136561853) is 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane is O=S(=O)(c1sccc1C1OCCO1)N1CCC2(CCOC2)C1.
What is the InChIKey of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is VUEGLWRCYIKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S2/c16-22(17,15-4-2-14(9-15)3-5-18-10-14)13-11(1-8-21-13)12-19-6-7-20-12/h1,8,12H,2-7,9-10H2.
What are the key properties of 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane?
7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 345.44 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1,3-dioxolan-2-yl)thiophen-2-yl]sulfonyl-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 136561853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).