4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane

C10H20N2S — CID 91192754

IUPAC4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCSC12CCCNC2
InChIInChI=1S/C10H20N2S/c1-9(2)12-6-7-13-10(12)4-3-5-11-8-10/h9,11H,3-8H2,1-2H3
InChIKeyYTACXXNGNBLMHO-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.52
Rot. Bonds1

About 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane

4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane (PubChem CID 91192754) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane
PubChem CID91192754
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane
SMILESCC(C)N1CCSC12CCCNC2
InChIInChI=1S/C10H20N2S/c1-9(2)12-6-7-13-10(12)4-3-5-11-8-10/h9,11H,3-8H2,1-2H3
InChIKeyYTACXXNGNBLMHO-UHFFFAOYSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane?
The IUPAC name of 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane (CID 91192754) is 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane.
What is the SMILES notation for 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane?
The canonical SMILES for 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane is CC(C)N1CCSC12CCCNC2.
What is the InChIKey of 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane?
The InChIKey is YTACXXNGNBLMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(2)12-6-7-13-10(12)4-3-5-11-8-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane?
4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane has a molecular weight of 200.35 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-thia-4,9-diazaspiro[4.5]decane is sourced from PubChem (CID 91192754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).