[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone

C19H28N2O2S — CID 91910563

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C19H28N2O2S/c1-23-13-15-12-21(16-4-2-5-16)14-19(15)7-9-20(10-8-19)18(22)17-6-3-11-24-17/h3,6,11,15-16H,2,4-5,7-10,12-14H2,1H3
InChIKeyDCDHOAZVYBYXED-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.10
Rot. Bonds4

About [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone (PubChem CID 91910563) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
PubChem CID91910563
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1cccs1)CC2
InChIInChI=1S/C19H28N2O2S/c1-23-13-15-12-21(16-4-2-5-16)14-19(15)7-9-20(10-8-19)18(22)17-6-3-11-24-17/h3,6,11,15-16H,2,4-5,7-10,12-14H2,1H3
InChIKeyDCDHOAZVYBYXED-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-(2-thienylcarbonyl)-3-piperidinecarboxylate
CID 2904303
Ethyl 3-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 49789352
[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone
CID 97386762
[(4R,4aS,7aS)-4-methoxy-6-(2-methoxyethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-thiophen-2-ylmethanone
CID 97420772
[(4S,5R)-2-(2-methoxyethyl)-4-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97472410
Pyrrolidin-1-yl-[2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone
CID 118739448
N-propan-2-yl-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739451
[2-(3-Methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 118739618
2-(3-methylthiophene-2-carbonyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739624
N-(cyclopropylmethyl)-2-(thiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739751
N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739809
[2-(3-Methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739810

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone (CID 91910563) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1cccs1)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
The InChIKey is DCDHOAZVYBYXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-23-13-15-12-21(16-4-2-5-16)14-19(15)7-9-20(10-8-19)18(22)17-6-3-11-24-17/h3,6,11,15-16H,2,4-5,7-10,12-14H2,1H3.
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone has a molecular weight of 348.51 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91910563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).