(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone

C13H18N2OS — CID 118742675

IUPAC(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone
SMILESCCN1CCC12CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C13H18N2OS/c1-2-15-7-5-13(15)4-6-14(10-13)12(16)11-3-8-17-9-11/h3,8-9H,2,4-7,10H2,1H3
InChIKeySEKPDQSDIIYEHP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.06
Rot. Bonds2

About (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone

(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone (PubChem CID 118742675) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone
PubChem CID118742675
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone
SMILESCCN1CCC12CCN(C(=O)c1ccsc1)C2
InChIInChI=1S/C13H18N2OS/c1-2-15-7-5-13(15)4-6-14(10-13)12(16)11-3-8-17-9-11/h3,8-9H,2,4-7,10H2,1H3
InChIKeySEKPDQSDIIYEHP-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone?
The IUPAC name of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone (CID 118742675) is (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone is CCN1CCC12CCN(C(=O)c1ccsc1)C2.
What is the InChIKey of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone?
The InChIKey is SEKPDQSDIIYEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-15-7-5-13(15)4-6-14(10-13)12(16)11-3-8-17-9-11/h3,8-9H,2,4-7,10H2,1H3.
What are the key properties of (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone?
(1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone has a molecular weight of 250.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-1,7-diazaspiro[3.4]octan-7-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 118742675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).