1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone

C18H26N2OS — CID 97396890

IUPAC1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C18H26N2OS/c21-17(12-16-4-11-22-14-16)19-9-6-18(7-10-19)5-1-8-20(18)13-15-2-3-15/h4,11,14-15H,1-3,5-10,12-13H2
InChIKeyZEFAZKYOQXKGRF-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.16
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone

1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone (PubChem CID 97396890) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
PubChem CID97396890
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C18H26N2OS/c21-17(12-16-4-11-22-14-16)19-9-6-18(7-10-19)5-1-8-20(18)13-15-2-3-15/h4,11,14-15H,1-3,5-10,12-13H2
InChIKeyZEFAZKYOQXKGRF-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
1-[(5R)-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-9-yl]-2-thiophen-3-ylethanone
CID 97393443
1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
methyl (2S)-6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 129470889
methyl 6-(2-thiophen-3-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylate
CID 121021108
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-2-yl)methanone
CID 97493572
1-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-2-thiophen-3-ylethanone
CID 97491859
1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 29181741
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone (CID 97396890) is 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCC2(CCCN2CC2CC2)CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
The InChIKey is ZEFAZKYOQXKGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c21-17(12-16-4-11-22-14-16)19-9-6-18(7-10-19)5-1-8-20(18)13-15-2-3-15/h4,11,14-15H,1-3,5-10,12-13H2.
What are the key properties of 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone?
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone has a molecular weight of 318.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97396890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).