(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine

C15H15N3O2S — CID 130344835

IUPAC(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine
SMILESCn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN
InChIInChI=1S/C15H15N3O2S/c1-18-14(9-16)17-10-15(18)21(19,20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9,16H2,1H3
InChIKeySFRWWHDTNVELTA-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.86
Rot. Bonds3

About (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine

(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine (PubChem CID 130344835) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine
PubChem CID130344835
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine
SMILESCn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN
InChIInChI=1S/C15H15N3O2S/c1-18-14(9-16)17-10-15(18)21(19,20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9,16H2,1H3
InChIKeySFRWWHDTNVELTA-UHFFFAOYSA-N
XLogP1.86
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine?
The IUPAC name of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine (CID 130344835) is (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine.
What is the SMILES notation for (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine?
The canonical SMILES for (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine is Cn1c(S(=O)(=O)c2ccc3ccccc3c2)cnc1CN.
What is the InChIKey of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine?
The InChIKey is SFRWWHDTNVELTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18-14(9-16)17-10-15(18)21(19,20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10H,9,16H2,1H3.
What are the key properties of (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine?
(1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine has a molecular weight of 301.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-naphthalen-2-ylsulfonylimidazol-2-yl)methanamine is sourced from PubChem (CID 130344835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).