1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide

C15H23N5O2S — CID 71918931

IUPAC1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(C)c2cccnc2N(C)C)c1
InChIInChI=1S/C15H23N5O2S/c1-6-12(2)20-10-14(17-11-20)23(21,22)19(5)13-8-7-9-16-15(13)18(3)4/h7-12H,6H2,1-5H3
InChIKeyLJVZBDFVTFEFFZ-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.14
Rot. Bonds6

About 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide

1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide (PubChem CID 71918931) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide
PubChem CID71918931
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)N(C)c2cccnc2N(C)C)c1
InChIInChI=1S/C15H23N5O2S/c1-6-12(2)20-10-14(17-11-20)23(21,22)19(5)13-8-7-9-16-15(13)18(3)4/h7-12H,6H2,1-5H3
InChIKeyLJVZBDFVTFEFFZ-UHFFFAOYSA-N
XLogP2.14
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide?
The IUPAC name of 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide (CID 71918931) is 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide.
What is the SMILES notation for 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide?
The canonical SMILES for 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide is CCC(C)n1cnc(S(=O)(=O)N(C)c2cccnc2N(C)C)c1.
What is the InChIKey of 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide?
The InChIKey is LJVZBDFVTFEFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-6-12(2)20-10-14(17-11-20)23(21,22)19(5)13-8-7-9-16-15(13)18(3)4/h7-12H,6H2,1-5H3.
What are the key properties of 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide?
1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-[2-(dimethylamino)-3-pyridinyl]-N-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71918931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).