(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide

C15H21N5O2S — CID 95838692

IUPAC(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H21N5O2S/c1-12-16-9-11-19(12)15-8-4-6-13(17-15)14-7-5-10-20(14)23(21,22)18(2)3/h4,6,8-9,11,14H,5,7,10H2,1-3H3/t14-/m1/s1
InChIKeyWNZUBFHCIXZQKG-CQSZACIVSA-N
MW335.43 g/mol
LogP1.52
Rot. Bonds4

About (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide

(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 95838692) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID95838692
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C15H21N5O2S/c1-12-16-9-11-19(12)15-8-4-6-13(17-15)14-7-5-10-20(14)23(21,22)18(2)3/h4,6,8-9,11,14H,5,7,10H2,1-3H3/t14-/m1/s1
InChIKeyWNZUBFHCIXZQKG-CQSZACIVSA-N
XLogP1.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide (CID 95838692) is (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide is Cc1nccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is WNZUBFHCIXZQKG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12-16-9-11-19(12)15-8-4-6-13(17-15)14-7-5-10-20(14)23(21,22)18(2)3/h4,6,8-9,11,14H,5,7,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide?
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 95838692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).