N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide

C14H20N4O2S — CID 62062589

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)Cc2ccc(CN)cc2)cn1C
InChIInChI=1S/C14H20N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18(3)9-13-6-4-12(8-15)5-7-13/h4-7,10H,8-9,15H2,1-3H3
InChIKeyRCZKCLSUOASYRX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.01
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide (PubChem CID 62062589) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
PubChem CID62062589
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)N(C)Cc2ccc(CN)cc2)cn1C
InChIInChI=1S/C14H20N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18(3)9-13-6-4-12(8-15)5-7-13/h4-7,10H,8-9,15H2,1-3H3
InChIKeyRCZKCLSUOASYRX-UHFFFAOYSA-N
XLogP1.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide (CID 62062589) is N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)N(C)Cc2ccc(CN)cc2)cn1C.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
The InChIKey is RCZKCLSUOASYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18(3)9-13-6-4-12(8-15)5-7-13/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide is sourced from PubChem (CID 62062589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).