N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide

C9H17N3O2S — CID 62038834

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nccn1C
InChIInChI=1S/C9H17N3O2S/c1-3-8-15(13,14)11-5-4-9-10-6-7-12(9)2/h6-7,11H,3-5,8H2,1-2H3
InChIKeyLOOBRYVBEPIRCO-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.29
Rot. Bonds6

About N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide

N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide (PubChem CID 62038834) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
PubChem CID62038834
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1nccn1C
InChIInChI=1S/C9H17N3O2S/c1-3-8-15(13,14)11-5-4-9-10-6-7-12(9)2/h6-7,11H,3-5,8H2,1-2H3
InChIKeyLOOBRYVBEPIRCO-UHFFFAOYSA-N
XLogP0.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 106017944
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106017911
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propane-1-sulfonamide
CID 64587074
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293643
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807
azane;1-methyl-2-propylimidazole
CID 174525892
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide (CID 62038834) is N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1nccn1C.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide?
The InChIKey is LOOBRYVBEPIRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-8-15(13,14)11-5-4-9-10-6-7-12(9)2/h6-7,11H,3-5,8H2,1-2H3.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide?
N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 62038834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).