5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C16H21NO3S — CID 131692846

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCOC1CCOC2(C1)CN(C(=O)c1cc3c(s1)CCC3)C2
InChIInChI=1S/C16H21NO3S/c1-19-12-5-6-20-16(8-12)9-17(10-16)15(18)14-7-11-3-2-4-13(11)21-14/h7,12H,2-6,8-10H2,1H3
InChIKeySJKKHZHMBLVDBF-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.26
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 131692846) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID131692846
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCOC1CCOC2(C1)CN(C(=O)c1cc3c(s1)CCC3)C2
InChIInChI=1S/C16H21NO3S/c1-19-12-5-6-20-16(8-12)9-17(10-16)15(18)14-7-11-3-2-4-13(11)21-14/h7,12H,2-6,8-10H2,1H3
InChIKeySJKKHZHMBLVDBF-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[8-(pyridin-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861786
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95158444
(3-ethoxyphenyl)-[(8R)-8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124801731
5-oxaspiro[3.5]nonan-8-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115783848
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103745626
5-oxaspiro[3.5]nonan-8-yl(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 115783913
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706890
(4,5-dimethylthiophen-2-yl)-[(8R)-8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124912670
(2,6-dimethylmorpholin-4-yl)-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone
CID 25236977
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 131692846) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is COC1CCOC2(C1)CN(C(=O)c1cc3c(s1)CCC3)C2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is SJKKHZHMBLVDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-19-12-5-6-20-16(8-12)9-17(10-16)15(18)14-7-11-3-2-4-13(11)21-14/h7,12H,2-6,8-10H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 307.42 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(8-methoxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 131692846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).