1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine

C19H33N3O3S — CID 45177012

IUPAC1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCC(C)Cn1c(CN(CC2CCC2)CC2CCCO2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H33N3O3S/c1-15(2)11-22-17(10-20-19(22)26(3,23)24)13-21(12-16-6-4-7-16)14-18-8-5-9-25-18/h10,15-16,18H,4-9,11-14H2,1-3H3
InChIKeyPFABZSITJNKZDQ-UHFFFAOYSA-N
MW383.56 g/mol
LogP2.72
Rot. Bonds9

About 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine

1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45177012) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45177012
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC Name1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCC(C)Cn1c(CN(CC2CCC2)CC2CCCO2)cnc1S(C)(=O)=O
InChIInChI=1S/C19H33N3O3S/c1-15(2)11-22-17(10-20-19(22)26(3,23)24)13-21(12-16-6-4-7-16)14-18-8-5-9-25-18/h10,15-16,18H,4-9,11-14H2,1-3H3
InChIKeyPFABZSITJNKZDQ-UHFFFAOYSA-N
XLogP2.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 164631836
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0114908.P001
CID 45252952
N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28392374
1-(2-methoxyethyl)-2-[(3-methylbutyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42094398
1-[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 42098570

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine (CID 45177012) is 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine is CC(C)Cn1c(CN(CC2CCC2)CC2CCCO2)cnc1S(C)(=O)=O.
What is the InChIKey of 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is PFABZSITJNKZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-15(2)11-22-17(10-20-19(22)26(3,23)24)13-21(12-16-6-4-7-16)14-18-8-5-9-25-18/h10,15-16,18H,4-9,11-14H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine?
1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 383.56 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45177012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).