9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane

C15H30N2O2S — CID 106733400

IUPAC9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C15H30N2O2S/c1-13(2)20(18,19)11-10-17-12-15(7-4-5-8-15)16-9-6-14(17)3/h13-14,16H,4-12H2,1-3H3
InChIKeyLRTPFSQAMHPSQK-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds4

About 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane

9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 106733400) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
PubChem CID106733400
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
SMILESCC1CCNC2(CCCC2)CN1CCS(=O)(=O)C(C)C
InChIInChI=1S/C15H30N2O2S/c1-13(2)20(18,19)11-10-17-12-15(7-4-5-8-15)16-9-6-14(17)3/h13-14,16H,4-12H2,1-3H3
InChIKeyLRTPFSQAMHPSQK-UHFFFAOYSA-N
XLogP1.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 106733398
10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
CID 64869383
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
9-methyl-10-[2-(2-methylpropoxy)ethyl]-6,10-diazaspiro[4.6]undecane
CID 106458879
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
11-(2,2-difluoroethyl)-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64871559
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 113474602
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
CID 114014155
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane (CID 106733400) is 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane is CC1CCNC2(CCCC2)CN1CCS(=O)(=O)C(C)C.
What is the InChIKey of 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is LRTPFSQAMHPSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-13(2)20(18,19)11-10-17-12-15(7-4-5-8-15)16-9-6-14(17)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane?
9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 302.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 106733400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).