2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C13H22N4O3S — CID 91922030

IUPAC2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cnc[nH]2)CC12CCNCC2
InChIInChI=1S/C13H22N4O3S/c1-20-8-11-7-17(9-13(11)2-4-14-5-3-13)21(18,19)12-6-15-10-16-12/h6,10-11,14H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyWKVRTFOLHTZXNY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.05
Rot. Bonds4

About 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922030) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922030
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(S(=O)(=O)c2cnc[nH]2)CC12CCNCC2
InChIInChI=1S/C13H22N4O3S/c1-20-8-11-7-17(9-13(11)2-4-14-5-3-13)21(18,19)12-6-15-10-16-12/h6,10-11,14H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyWKVRTFOLHTZXNY-UHFFFAOYSA-N
XLogP0.05
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
1-{4-(methoxymethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,8-diazaspiro[4.5]dec-2-yl}-1-ethanone
CID 91922164
1-[2-(1,2-dimethylimidazol-4-yl)sulfonyl-8-oxa-2-azaspiro[4.5]decan-4-yl]-N,N-dimethylmethanamine
CID 87053409
4-[1-(1H-Imidazole-4-sulfonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910251
8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 91922105
1-[8-(1H-imidazol-4-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91922168
2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl (1H-imidazol-4-yl) sulfone
CID 91922227
5-[3-(3,3-difluorooxetan-2-yl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 167762159
Ethyl 1-(1H-imidazole-4-sulfonyl)piperidine-3-carboxylate
CID 20969406
8-(1H-imidazol-2-ylsulfonyl)-2-oxa-8-azaspiro[4.5]decane
CID 68633184
2-methoxy-N-[[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 64147720
4-[1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-2-yl]piperidine
CID 64147798

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91922030) is 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(S(=O)(=O)c2cnc[nH]2)CC12CCNCC2.
What is the InChIKey of 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is WKVRTFOLHTZXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-20-8-11-7-17(9-13(11)2-4-14-5-3-13)21(18,19)12-6-15-10-16-12/h6,10-11,14H,2-5,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 314.41 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).