10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane

C15H30N2O2S — CID 64869383

IUPAC10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1CCCS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-14-7-10-16-15(8-4-3-5-9-15)13-17(14)11-6-12-20(2,18)19/h14,16H,3-13H2,1-2H3
InChIKeyFOQZYVDYJUNNRZ-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.81
Rot. Bonds4

About 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane

10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane (PubChem CID 64869383) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
PubChem CID64869383
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane
SMILESCC1CCNC2(CCCCC2)CN1CCCS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-14-7-10-16-15(8-4-3-5-9-15)13-17(14)11-6-12-20(2,18)19/h14,16H,3-13H2,1-2H3
InChIKeyFOQZYVDYJUNNRZ-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
3,3-diethyl-7-methyl-1-(3-methylsulfonylpropyl)-1,4-diazepane
CID 64871817
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
CID 106733400
10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
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
9-(3-methylsulfonylpropyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64876601
10-methyl-11-[2-(trifluoromethylsulfanyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 116627590
11-(2,2-difluoroethyl)-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64871559
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366
1-(3-ethylsulfonylpropyl)-3,3,7-trimethyl-1,4-diazepane
CID 65096269

Frequently Asked Questions

What is the IUPAC name of 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane (CID 64869383) is 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane is CC1CCNC2(CCCCC2)CN1CCCS(C)(=O)=O.
What is the InChIKey of 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane?
The InChIKey is FOQZYVDYJUNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-14-7-10-16-15(8-4-3-5-9-15)13-17(14)11-6-12-20(2,18)19/h14,16H,3-13H2,1-2H3.
What are the key properties of 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane?
10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane 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 10-methyl-11-(3-methylsulfonylpropyl)-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64869383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).