2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane

C14H26N2O2S — CID 128886066

IUPAC2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane
SMILESCC1CC2(CCNCC2)CN1S(=O)(=O)CCC1CC1
InChIInChI=1S/C14H26N2O2S/c1-12-10-14(5-7-15-8-6-14)11-16(12)19(17,18)9-4-13-2-3-13/h12-13,15H,2-11H2,1H3
InChIKeyFLYFMNHRIHOBMG-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane

2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 128886066) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane
PubChem CID128886066
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane
SMILESCC1CC2(CCNCC2)CN1S(=O)(=O)CCC1CC1
InChIInChI=1S/C14H26N2O2S/c1-12-10-14(5-7-15-8-6-14)11-16(12)19(17,18)9-4-13-2-3-13/h12-13,15H,2-11H2,1H3
InChIKeyFLYFMNHRIHOBMG-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane (CID 128886066) is 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane is CC1CC2(CCNCC2)CN1S(=O)(=O)CCC1CC1.
What is the InChIKey of 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is FLYFMNHRIHOBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-12-10-14(5-7-15-8-6-14)11-16(12)19(17,18)9-4-13-2-3-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane?
2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 286.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylethylsulfonyl)-3-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 128886066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).