2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane

C9H18N2S — CID 66993962

IUPAC2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane
SMILESCC1NCC2(CCN(C)CC2)S1
InChIInChI=1S/C9H18N2S/c1-8-10-7-9(12-8)3-5-11(2)6-4-9/h8,10H,3-7H2,1-2H3
InChIKeyHYSUKFMZFUXIPJ-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.13
Rot. Bonds

About 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane

2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane (PubChem CID 66993962) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane
PubChem CID66993962
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane
SMILESCC1NCC2(CCN(C)CC2)S1
InChIInChI=1S/C9H18N2S/c1-8-10-7-9(12-8)3-5-11(2)6-4-9/h8,10H,3-7H2,1-2H3
InChIKeyHYSUKFMZFUXIPJ-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
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 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane?
The IUPAC name of 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane (CID 66993962) is 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane?
The canonical SMILES for 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane is CC1NCC2(CCN(C)CC2)S1.
What is the InChIKey of 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane?
The InChIKey is HYSUKFMZFUXIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-8-10-7-9(12-8)3-5-11(2)6-4-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane?
2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane has a molecular weight of 186.32 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decane is sourced from PubChem (CID 66993962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).