N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C11H18IN3O2S2 — CID 120972540

IUPACN-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCS(=O)(=O)c1ccc(CNC2=NCCN2C)s1.I
InChIInChI=1S/C11H17N3O2S2.HI/c1-3-18(15,16)10-5-4-9(17-10)8-13-11-12-6-7-14(11)2;/h4-5H,3,6-8H2,1-2H3,(H,12,13);1H
InChIKeyMJNDDARCMXXATI-UHFFFAOYSA-N
MW415.32 g/mol
LogP1.55
Rot. Bonds4

About N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972540) has the molecular formula C11H18IN3O2S2 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972540
Molecular FormulaC11H18IN3O2S2
Molecular Weight415.32 g/mol
Exact Mass414.99
IUPAC NameN-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCS(=O)(=O)c1ccc(CNC2=NCCN2C)s1.I
InChIInChI=1S/C11H17N3O2S2.HI/c1-3-18(15,16)10-5-4-9(17-10)8-13-11-12-6-7-14(11)2;/h4-5H,3,6-8H2,1-2H3,(H,12,13);1H
InChIKeyMJNDDARCMXXATI-UHFFFAOYSA-N
XLogP1.55
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972540) is N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CCS(=O)(=O)c1ccc(CNC2=NCCN2C)s1.I.
What is the InChIKey of N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is MJNDDARCMXXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2.HI/c1-3-18(15,16)10-5-4-9(17-10)8-13-11-12-6-7-14(11)2;/h4-5H,3,6-8H2,1-2H3,(H,12,13);1H.
What are the key properties of N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylsulfonylthiophen-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).