(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C14H20N6O2S — CID 125014757

IUPAC(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H20N6O2S/c1-10-9-11(13-15-6-7-16-13)18-14(17-10)12-5-4-8-20(12)23(21,22)19(2)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyWOSIVCYUTSEMMF-LBPRGKRZSA-N
MW336.42 g/mol
LogP1.12
Rot. Bonds4

About (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 125014757) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID125014757
Molecular FormulaC14H20N6O2S
Molecular Weight336.42 g/mol
Exact Mass336.14
IUPAC Name(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C14H20N6O2S/c1-10-9-11(13-15-6-7-16-13)18-14(17-10)12-5-4-8-20(12)23(21,22)19(2)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyWOSIVCYUTSEMMF-LBPRGKRZSA-N
XLogP1.12
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 125014757) is (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is WOSIVCYUTSEMMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-9-11(13-15-6-7-16-13)18-14(17-10)12-5-4-8-20(12)23(21,22)19(2)3/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
(2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 125014757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).