N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide

C11H19IN4O2S2 — CID 120971740

IUPACN-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
SMILESCN1CCN=C1NCCN(C)S(=O)(=O)c1cccs1.I
InChIInChI=1S/C11H18N4O2S2.HI/c1-14-7-5-12-11(14)13-6-8-15(2)19(16,17)10-4-3-9-18-10;/h3-4,9H,5-8H2,1-2H3,(H,12,13);1H
InChIKeySYQOLJPUCVCENQ-UHFFFAOYSA-N
MW430.34 g/mol
LogP0.88
Rot. Bonds5

About N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide

N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide (PubChem CID 120971740) has the molecular formula C11H19IN4O2S2 and a molecular weight of 430.34 g/mol. Its IUPAC name is N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide.

Molecular Properties

Compound NameN-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
PubChem CID120971740
Molecular FormulaC11H19IN4O2S2
Molecular Weight430.34 g/mol
Exact Mass430.00
IUPAC NameN-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide
SMILESCN1CCN=C1NCCN(C)S(=O)(=O)c1cccs1.I
InChIInChI=1S/C11H18N4O2S2.HI/c1-14-7-5-12-11(14)13-6-8-15(2)19(16,17)10-4-3-9-18-10;/h3-4,9H,5-8H2,1-2H3,(H,12,13);1H
InChIKeySYQOLJPUCVCENQ-UHFFFAOYSA-N
XLogP0.88
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387741
N-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387661
N-[2-[(1-chloroisoquinolin-3-yl)amino]ethyl]-N-methylthiophene-2-sulfonamide
CID 133387627
N-methyl-N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 137265087
N-methyl-N-[2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387653
N-methyl-N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387638
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[2-(2-chloro-6-cyanoanilino)ethyl]-N-methylthiophene-2-sulfonamide
CID 133387707
N-methyl-N-[2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]thiophene-2-sulfonamide
CID 133387573
N-[2-(benzenesulfonyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970051
N-methyl-N-[2-[(8-methylquinazolin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133387693
N'-methyl-N-[2-[methyl(thiophen-2-ylsulfonyl)amino]ethyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379198

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide?
The IUPAC name of N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide (CID 120971740) is N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide.
What is the SMILES notation for N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide?
The canonical SMILES for N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide is CN1CCN=C1NCCN(C)S(=O)(=O)c1cccs1.I.
What is the InChIKey of N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide?
The InChIKey is SYQOLJPUCVCENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S2.HI/c1-14-7-5-12-11(14)13-6-8-15(2)19(16,17)10-4-3-9-18-10;/h3-4,9H,5-8H2,1-2H3,(H,12,13);1H.
What are the key properties of N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide?
N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide has a molecular weight of 430.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]thiophene-2-sulfonamide;hydroiodide is sourced from PubChem (CID 120971740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).