9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C15H30N2O2S — CID 64876601

IUPAC9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCCS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-13(2)14-11-16-15(7-4-5-8-15)12-17(14)9-6-10-20(3,18)19/h13-14,16H,4-12H2,1-3H3
InChIKeyLPNDODTWTHLHCR-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.66
Rot. Bonds5

About 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane

9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64876601) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64876601
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CNC2(CCCC2)CN1CCCS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-13(2)14-11-16-15(7-4-5-8-15)12-17(14)9-6-10-20(3,18)19/h13-14,16H,4-12H2,1-3H3
InChIKeyLPNDODTWTHLHCR-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64876601) is 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CNC2(CCCC2)CN1CCCS(C)(=O)=O.
What is the InChIKey of 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is LPNDODTWTHLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13(2)14-11-16-15(7-4-5-8-15)12-17(14)9-6-10-20(3,18)19/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 302.48 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64876601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).