2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol

C14H27N3O3S — CID 42529944

IUPAC2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)Cn1c(CN(CCO)C(C)C)cnc1S(C)(=O)=O
InChIInChI=1S/C14H27N3O3S/c1-11(2)9-17-13(8-15-14(17)21(5,19)20)10-16(6-7-18)12(3)4/h8,11-12,18H,6-7,9-10H2,1-5H3
InChIKeyKBKREERXBKOVLQ-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.15
Rot. Bonds8

About 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol

2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 42529944) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol
PubChem CID42529944
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)Cn1c(CN(CCO)C(C)C)cnc1S(C)(=O)=O
InChIInChI=1S/C14H27N3O3S/c1-11(2)9-17-13(8-15-14(17)21(5,19)20)10-16(6-7-18)12(3)4/h8,11-12,18H,6-7,9-10H2,1-5H3
InChIKeyKBKREERXBKOVLQ-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]methanol
CID 6458021
[2-(isobutylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]methanol
CID 42562405
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
3-[Methyl-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]amino]propan-1-ol
CID 126841707
1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-ethyl-2-methyl-2-propen-1-amine
CID 25286988
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28309373
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 28357901
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28374132
N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(4-morpholinyl)ethanamine
CID 28392374

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol (CID 42529944) is 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol is CC(C)Cn1c(CN(CCO)C(C)C)cnc1S(C)(=O)=O.
What is the InChIKey of 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is KBKREERXBKOVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-11(2)9-17-13(8-15-14(17)21(5,19)20)10-16(6-7-18)12(3)4/h8,11-12,18H,6-7,9-10H2,1-5H3.
What are the key properties of 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol?
2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 317.46 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 42529944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).