7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane

C9H18N2O2S — CID 145315592

IUPAC7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC2(CC1)CN(S(C)(=O)=O)C2
InChIInChI=1S/C9H18N2O2S/c1-10-5-3-9(4-6-10)7-11(8-9)14(2,12)13/h3-8H2,1-2H3
InChIKeyHRCBHMSYIABKKQ-UHFFFAOYSA-N
MW218.32 g/mol
LogP-0.03
Rot. Bonds1

About 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane

7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane (PubChem CID 145315592) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
PubChem CID145315592
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CCC2(CC1)CN(S(C)(=O)=O)C2
InChIInChI=1S/C9H18N2O2S/c1-10-5-3-9(4-6-10)7-11(8-9)14(2,12)13/h3-8H2,1-2H3
InChIKeyHRCBHMSYIABKKQ-UHFFFAOYSA-N
XLogP-0.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-Methylpropyl)-3-methylsulfonyl-3,9-diazaspiro[5.5]undecane
CID 3234668
7-Methanesulfonyl-2,7-diazaspiro[3.5]nonane hydrochloride
CID 167718198
4,4-Dimethyl-1-(pyrrolidin-1-ylmethylsulfonyl)piperidine
CID 18723217
4,4-Dimethyl-1-methylsulfonylpiperidine
CID 18736356
N-[[4-(aminomethyl)-1-methylpiperidin-4-yl]methyl]methanesulfonamide
CID 54217510
3,3-Dimethyl-1-(methylsulfonyl)piperidine
CID 56919421
2-Methyl-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 57678380
4-Ethyl-4-methyl-1-methylsulfonylpiperidine
CID 58959862
4,4-Ditert-butyl-1-methylsulfonylpiperidine
CID 59391776
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]methanesulfonamide
CID 60256515
4,4-Diethyl-1-methylsulfonylpiperidine
CID 64584370
2-(2,2-Dimethylpropyl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 68062407

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane (CID 145315592) is 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane is CN1CCC2(CC1)CN(S(C)(=O)=O)C2.
What is the InChIKey of 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is HRCBHMSYIABKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-10-5-3-9(4-6-10)7-11(8-9)14(2,12)13/h3-8H2,1-2H3.
What are the key properties of 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 218.32 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 145315592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).