2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane

C15H30N2O2S — CID 134590774

IUPAC2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCC(C(C)C)N1CCC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H30N2O2S/c1-5-14(13(2)3)16-9-6-15(12-16)7-10-17(11-8-15)20(4,18)19/h13-14H,5-12H2,1-4H3
InChIKeyPMVXWDLMIPHVFH-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane

2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 134590774) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID134590774
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane
SMILESCCC(C(C)C)N1CCC2(CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H30N2O2S/c1-5-14(13(2)3)16-9-6-15(12-16)7-10-17(11-8-15)20(4,18)19/h13-14H,5-12H2,1-4H3
InChIKeyPMVXWDLMIPHVFH-UHFFFAOYSA-N
XLogP2.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-methylpentan-3-yl)pyrrolidine-3-carboxylic acid
CID 107321408
7-methylsulfonyl-7-azaspiro[3.5]nonane
CID 126998846
2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-[(2S)-butan-2-yl]-4-methylsulfonylpiperazin-1-ium
CID 6944876
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
CID 130815616
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
CID 62993592
2-(4-methylsulfonylpiperazin-1-yl)pentanenitrile
CID 63341136

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 134590774) is 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is CCC(C(C)C)N1CCC2(CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is PMVXWDLMIPHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-5-14(13(2)3)16-9-6-15(12-16)7-10-17(11-8-15)20(4,18)19/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane?
2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 302.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 134590774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).