4-ethyl-1-thia-4,9-diazaspiro[4.5]decane

C9H18N2S — CID 58245514

IUPAC4-ethyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCCN1CCSC12CCCNC2
InChIInChI=1S/C9H18N2S/c1-2-11-6-7-12-9(11)4-3-5-10-8-9/h10H,2-8H2,1H3
InChIKeyYQPDXDDQKGVUPC-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.13
Rot. Bonds1

About 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane

4-ethyl-1-thia-4,9-diazaspiro[4.5]decane (PubChem CID 58245514) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-ethyl-1-thia-4,9-diazaspiro[4.5]decane
PubChem CID58245514
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-ethyl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCCN1CCSC12CCCNC2
InChIInChI=1S/C9H18N2S/c1-2-11-6-7-12-9(11)4-3-5-10-8-9/h10H,2-8H2,1H3
InChIKeyYQPDXDDQKGVUPC-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
The IUPAC name of 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane (CID 58245514) is 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane is CCN1CCSC12CCCNC2.
What is the InChIKey of 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
The InChIKey is YQPDXDDQKGVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-11-6-7-12-9(11)4-3-5-10-8-9/h10H,2-8H2,1H3.
What are the key properties of 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane?
4-ethyl-1-thia-4,9-diazaspiro[4.5]decane has a molecular weight of 186.32 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-thia-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 58245514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).