2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide

C10H14N4O2S2 — CID 106062510

IUPAC2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
SMILESCn1ccnc1CNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C10H14N4O2S2/c1-14-4-3-12-10(14)7-13-18(15,16)9-2-5-17-8(9)6-11/h2-5,13H,6-7,11H2,1H3
InChIKeyVQTOAAJPLMJOGV-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.42
Rot. Bonds5

About 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide

2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106062510) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
PubChem CID106062510
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide
SMILESCn1ccnc1CNS(=O)(=O)c1ccsc1CN
InChIInChI=1S/C10H14N4O2S2/c1-14-4-3-12-10(14)7-13-18(15,16)9-2-5-17-8(9)6-11/h2-5,13H,6-7,11H2,1H3
InChIKeyVQTOAAJPLMJOGV-UHFFFAOYSA-N
XLogP0.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106062569
2-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023220
1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 63293761
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63293514
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide (CID 106062510) is 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide is Cn1ccnc1CNS(=O)(=O)c1ccsc1CN.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is VQTOAAJPLMJOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-14-4-3-12-10(14)7-13-18(15,16)9-2-5-17-8(9)6-11/h2-5,13H,6-7,11H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide?
2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106062510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).