1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone

C13H18N2O4S2 — CID 7384380

IUPAC1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C13H18N2O4S2/c1-11(16)14-6-4-13(5-7-14)15(8-9-19-13)21(17,18)12-3-2-10-20-12/h2-3,10H,4-9H2,1H3
InChIKeyCFIAAZCSTCOCTN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.11
Rot. Bonds2

About 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone

1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 7384380) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone
PubChem CID7384380
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC Name1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1
InChIInChI=1S/C13H18N2O4S2/c1-11(16)14-6-4-13(5-7-14)15(8-9-19-13)21(17,18)12-3-2-10-20-12/h2-3,10H,4-9H2,1H3
InChIKeyCFIAAZCSTCOCTN-UHFFFAOYSA-N
XLogP1.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chlorophenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
CID 22584257
(4-ethoxyphenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
CID 18577926
4-[[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)acetyl]amino]benzamide
CID 16823137
8-(4-methoxyphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830285
(2-chloro-4-nitrophenyl)-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone
CID 18577928
8-(4-methoxy-3-methylphenyl)sulfonyl-4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 16830286
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 20962479
[4-(4-fluoro-3-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 20962524
2-methyl-4-thiophen-2-ylsulfonylmorpholine-2-carboxamide
CID 127247675
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 20962497
1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
CID 52918753
(2-methoxyphenyl)-[4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 16803302

Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 7384380) is 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone is CC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1cccs1.
What is the InChIKey of 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is CFIAAZCSTCOCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-11(16)14-6-4-13(5-7-14)15(8-9-19-13)21(17,18)12-3-2-10-20-12/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone?
1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylsulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 7384380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).