N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide

C10H13N3O2S2 — CID 64531136

IUPACN-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ncc[nH]2)c(C)s1
InChIInChI=1S/C10H13N3O2S2/c1-7-5-9(8(2)16-7)17(14,15)13-6-10-11-3-4-12-10/h3-5,13H,6H2,1-2H3,(H,11,12)
InChIKeyXBOFNCUHWVXQQC-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.57
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide

N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 64531136) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID64531136
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ncc[nH]2)c(C)s1
InChIInChI=1S/C10H13N3O2S2/c1-7-5-9(8(2)16-7)17(14,15)13-6-10-11-3-4-12-10/h3-5,13H,6H2,1-2H3,(H,11,12)
InChIKeyXBOFNCUHWVXQQC-UHFFFAOYSA-N
XLogP1.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
2,5-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-3-sulfonamide
CID 86839289
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
5-(aminomethyl)-3-bromo-N-(1H-imidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106069335
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368
N-(1H-imidazol-2-ylmethyl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106069381
2,5-dimethyl-N-pyrimidin-2-ylthiophene-3-sulfonamide
CID 75521882
2-bromo-N-(1H-imidazol-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106069259
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257
2-[(dimethylsulfamoylamino)methyl]-1H-imidazole
CID 64532113
2,5-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide
CID 62658925
4-(1H-imidazol-2-ylmethylsulfamoyl)-3-methoxybenzoic acid
CID 102694997

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide (CID 64531136) is N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2ncc[nH]2)c(C)s1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is XBOFNCUHWVXQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-7-5-9(8(2)16-7)17(14,15)13-6-10-11-3-4-12-10/h3-5,13H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 64531136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).