(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

C17H26N6O2S — CID 124948683

IUPAC(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1cc(-c2cnc(C)n2C)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C17H26N6O2S/c1-12-10-14(16-11-18-13(2)22(16)5)20-17(19-12)15-8-6-7-9-23(15)26(24,25)21(3)4/h10-11,15H,6-9H2,1-5H3/t15-/m1/s1
InChIKeyCORSETKMMHKSGW-OAHLLOKOSA-N
MW378.50 g/mol
LogP1.83
Rot. Bonds4

About (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide

(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 124948683) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID124948683
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC Name(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCc1cc(-c2cnc(C)n2C)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C17H26N6O2S/c1-12-10-14(16-11-18-13(2)22(16)5)20-17(19-12)15-8-6-7-9-23(15)26(24,25)21(3)4/h10-11,15H,6-9H2,1-5H3/t15-/m1/s1
InChIKeyCORSETKMMHKSGW-OAHLLOKOSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide (CID 124948683) is (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is Cc1cc(-c2cnc(C)n2C)nc([C@H]2CCCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is CORSETKMMHKSGW-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-12-10-14(16-11-18-13(2)22(16)5)20-17(19-12)15-8-6-7-9-23(15)26(24,25)21(3)4/h10-11,15H,6-9H2,1-5H3/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide?
(2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 378.50 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2,3-dimethylimidazol-4-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 124948683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).