N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine

C10H19N3O2S — CID 66149891

IUPACN-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-3-11-7-10-8-12-9-13(10)5-4-6-16(2,14)15/h8-9,11H,3-7H2,1-2H3
InChIKeyCCWGRAPLRLHJNG-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.43
Rot. Bonds7

About N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine

N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 66149891) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID66149891
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-3-11-7-10-8-12-9-13(10)5-4-6-16(2,14)15/h8-9,11H,3-7H2,1-2H3
InChIKeyCCWGRAPLRLHJNG-UHFFFAOYSA-N
XLogP0.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
tert-butyl N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]carbamate
CID 114704630
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
2-[(3-propylimidazol-4-yl)methylamino]ethanesulfonamide
CID 66135415
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]propan-2-amine
CID 114704632
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
N-[[3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66152219
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine (CID 66149891) is N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1CCCS(C)(=O)=O.
What is the InChIKey of N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is CCWGRAPLRLHJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-11-7-10-8-12-9-13(10)5-4-6-16(2,14)15/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 245.35 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66149891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).