N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide

C12H19N5O2S — CID 70731499

IUPACN-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide
SMILESCCCn1ccnc1-c1nccn1CCS(=O)(=O)NC
InChIInChI=1S/C12H19N5O2S/c1-3-6-16-7-4-14-11(16)12-15-5-8-17(12)9-10-20(18,19)13-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeyVLNFDXZXXGVEBQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.71
Rot. Bonds7

About N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide

N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide (PubChem CID 70731499) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide
PubChem CID70731499
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide
SMILESCCCn1ccnc1-c1nccn1CCS(=O)(=O)NC
InChIInChI=1S/C12H19N5O2S/c1-3-6-16-7-4-14-11(16)12-15-5-8-17(12)9-10-20(18,19)13-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3
InChIKeyVLNFDXZXXGVEBQ-UHFFFAOYSA-N
XLogP0.71
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide?
The IUPAC name of N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide (CID 70731499) is N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide is CCCn1ccnc1-c1nccn1CCS(=O)(=O)NC.
What is the InChIKey of N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide?
The InChIKey is VLNFDXZXXGVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-6-16-7-4-14-11(16)12-15-5-8-17(12)9-10-20(18,19)13-2/h4-5,7-8,13H,3,6,9-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide?
N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(1-propylimidazol-2-yl)imidazol-1-yl]ethanesulfonamide is sourced from PubChem (CID 70731499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).