N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine

C17H33N3O2S — CID 25273955

IUPACN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine
SMILESCCCCn1c(CN(C)CC)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C17H33N3O2S/c1-6-8-11-20-16(14-19(5)7-2)13-18-17(20)23(21,22)12-9-10-15(3)4/h13,15H,6-12,14H2,1-5H3
InChIKeyRCSVCUQYHJVXTQ-UHFFFAOYSA-N
MW343.54 g/mol
LogP3.34
Rot. Bonds11

About N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine

N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine (PubChem CID 25273955) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine
PubChem CID25273955
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC NameN-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine
SMILESCCCCn1c(CN(C)CC)cnc1S(=O)(=O)CCCC(C)C
InChIInChI=1S/C17H33N3O2S/c1-6-8-11-20-16(14-19(5)7-2)13-18-17(20)23(21,22)12-9-10-15(3)4/h13,15H,6-12,14H2,1-5H3
InChIKeyRCSVCUQYHJVXTQ-UHFFFAOYSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 45213758
N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 42196799
N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 25286988
2-[ethyl-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]amino]ethanol
CID 25274699
N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 29149526
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103
(1S)-N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 42196966
(1R)-N-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 28956353
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 26399798
N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
CID 29150644
N-benzyl-N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-cyclopropylmethanamine
CID 42452914

Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine?
The IUPAC name of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine (CID 25273955) is N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine is CCCCn1c(CN(C)CC)cnc1S(=O)(=O)CCCC(C)C.
What is the InChIKey of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine?
The InChIKey is RCSVCUQYHJVXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-6-8-11-20-16(14-19(5)7-2)13-18-17(20)23(21,22)12-9-10-15(3)4/h13,15H,6-12,14H2,1-5H3.
What are the key properties of N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine?
N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine has a molecular weight of 343.54 g/mol, XLogP of 3.34, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-N-methylethanamine is sourced from PubChem (CID 25273955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).