(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone

C15H22N2O2S — CID 97396263

IUPAC(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
SMILESCCN1CCOCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C15H22N2O2S/c1-2-17-8-9-19-12-15(17)4-6-16(7-5-15)14(18)13-3-10-20-11-13/h3,10-11H,2,4-9,12H2,1H3
InChIKeyNWDZYMOHPWTPSD-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.08
Rot. Bonds2

About (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone

(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone (PubChem CID 97396263) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
PubChem CID97396263
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
SMILESCCN1CCOCC12CCN(C(=O)c1ccsc1)CC2
InChIInChI=1S/C15H22N2O2S/c1-2-17-8-9-19-12-15(17)4-6-16(7-5-15)14(18)13-3-10-20-11-13/h3,10-11H,2,4-9,12H2,1H3
InChIKeyNWDZYMOHPWTPSD-UHFFFAOYSA-N
XLogP2.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone?
The IUPAC name of (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone (CID 97396263) is (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone is CCN1CCOCC12CCN(C(=O)c1ccsc1)CC2.
What is the InChIKey of (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone?
The InChIKey is NWDZYMOHPWTPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-2-17-8-9-19-12-15(17)4-6-16(7-5-15)14(18)13-3-10-20-11-13/h3,10-11H,2,4-9,12H2,1H3.
What are the key properties of (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone?
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone has a molecular weight of 294.42 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 97396263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).