4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane

C8H16N2O2S — CID 153061234

IUPAC4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane
SMILESCN1CCN(S(C)(=O)=O)CC12CC2
InChIInChI=1S/C8H16N2O2S/c1-9-5-6-10(13(2,11)12)7-8(9)3-4-8/h3-7H2,1-2H3
InChIKeyVJMGDXGCEQVTOI-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.27
Rot. Bonds1

About 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane

4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane (PubChem CID 153061234) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Name4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane
PubChem CID153061234
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane
SMILESCN1CCN(S(C)(=O)=O)CC12CC2
InChIInChI=1S/C8H16N2O2S/c1-9-5-6-10(13(2,11)12)7-8(9)3-4-8/h3-7H2,1-2H3
InChIKeyVJMGDXGCEQVTOI-UHFFFAOYSA-N
XLogP-0.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-8-methylsulfonyl-5,8-diazaspiro[3.5]nonane
CID 163234157
1-methyl-1-azaspiro[2.2]pentane
CID 20516490
6-methylsulfonyl-1,6-diazaspiro[3.3]heptane-1-carbaldehyde
CID 152706612
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 166713434
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
CID 106661212
(6R)-4-(benzenesulfonyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98789035
(6S)-10-(cyclopropylmethyl)-4-cyclopropylsulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195348
4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138808703
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95226595
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
The IUPAC name of 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane (CID 153061234) is 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
The canonical SMILES for 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane is CN1CCN(S(C)(=O)=O)CC12CC2.
What is the InChIKey of 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
The InChIKey is VJMGDXGCEQVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-9-5-6-10(13(2,11)12)7-8(9)3-4-8/h3-7H2,1-2H3.
What are the key properties of 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane?
4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane has a molecular weight of 204.29 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-methylsulfonyl-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 153061234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).