methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate

C15H19NO3S — CID 121021108

IUPACmethyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H19NO3S/c1-19-14(18)12-9-15(12)3-5-16(6-4-15)13(17)8-11-2-7-20-10-11/h2,7,10,12H,3-6,8-9H2,1H3
InChIKeyLFALOGIENYCHHX-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.09
Rot. Bonds3

About methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate

methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate (PubChem CID 121021108) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
PubChem CID121021108
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Namemethyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
SMILESCOC(=O)C1CC12CCN(C(=O)Cc1ccsc1)CC2
InChIInChI=1S/C15H19NO3S/c1-19-14(18)12-9-15(12)3-5-16(6-4-15)13(17)8-11-2-7-20-10-11/h2,7,10,12H,3-6,8-9H2,1H3
InChIKeyLFALOGIENYCHHX-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129470889
methyl (2S)-6-(2-benzylsulfanylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129356183
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
CID 97491859
(5S)-4,5-dimethyl-9-(2-thiophen-3-ylacetyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471553
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175386
tert-butyl N-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]carbamate
CID 71647148
1-[(3R)-3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97419217
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanethioamide
CID 63339604

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate?
The IUPAC name of methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate (CID 121021108) is methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate.
What is the SMILES notation for methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate?
The canonical SMILES for methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate is COC(=O)C1CC12CCN(C(=O)Cc1ccsc1)CC2.
What is the InChIKey of methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate?
The InChIKey is LFALOGIENYCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-19-14(18)12-9-15(12)3-5-16(6-4-15)13(17)8-11-2-7-20-10-11/h2,7,10,12H,3-6,8-9H2,1H3.
What are the key properties of methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate?
methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate is sourced from PubChem (CID 121021108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).