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

C17H28N4O3S — CID 91922227

IUPAC2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C17H28N4O3S/c1-24-11-14-10-20(15-3-2-4-15)12-17(14)5-7-21(8-6-17)25(22,23)16-9-18-13-19-16/h9,13-15H,2-8,10-12H2,1H3,(H,18,19)
InChIKeyGLWSVSDBYXFTPG-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.31
Rot. Bonds5

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

2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91922227) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91922227
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C2CCC2)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2
InChIInChI=1S/C17H28N4O3S/c1-24-11-14-10-20(15-3-2-4-15)12-17(14)5-7-21(8-6-17)25(22,23)16-9-18-13-19-16/h9,13-15H,2-8,10-12H2,1H3,(H,18,19)
InChIKeyGLWSVSDBYXFTPG-UHFFFAOYSA-N
XLogP1.31
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-imidazol-4-yl [4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl] sulfone
CID 91922030
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
(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-[(3S)-oxan-3-yl]pyrrolidin-3-amine
CID 90405855
1-(1-methylimidazol-4-yl)sulfonyl-4-[(3S)-oxan-3-yl]pyrrolidin-3-amine
CID 90405857
1-(1-Methylimidazol-4-yl)sulfonyl-4-(oxan-3-yl)pyrrolidin-3-amine
CID 90405860
(3S,4R)-1-(1-methylimidazol-4-yl)sulfonyl-4-[(3S)-oxan-3-yl]pyrrolidin-3-amine
CID 90405862
N,2-dimethyl-N-(oxan-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 64153528
N-(4-methyl-2-morpholin-4-ylpentyl)-1H-imidazole-5-sulfonamide
CID 64154405
N-methyl-N-(oxan-3-ylmethyl)-1H-imidazole-5-sulfonamide
CID 64155430
1-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)piperidine
CID 64155798
3-(ethoxymethyl)-1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 71982203

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91922227) is 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(C2CCC2)CC12CCN(S(=O)(=O)c1cnc[nH]1)CC2.
What is the InChIKey of 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is GLWSVSDBYXFTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-24-11-14-10-20(15-3-2-4-15)12-17(14)5-7-21(8-6-17)25(22,23)16-9-18-13-19-16/h9,13-15H,2-8,10-12H2,1H3,(H,18,19).
What are the key properties of 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 368.50 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-8-(1H-imidazol-5-ylsulfonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).