6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide

C16H23N5O3S — CID 126826695

IUPAC6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C16H23N5O3S/c1-4-21-9-8-17-16(21)15-13(7-10-24-15)19-25(22,23)12-5-6-14(18-11-12)20(2)3/h5-6,8-9,11,13,15,19H,4,7,10H2,1-3H3/t13-,15-/m1/s1
InChIKeyFOJMUDLPLXTRTJ-UKRRQHHQSA-N
MW365.46 g/mol
LogP1.17
Rot. Bonds6

About 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide

6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide (PubChem CID 126826695) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide
PubChem CID126826695
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide
SMILESCCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C16H23N5O3S/c1-4-21-9-8-17-16(21)15-13(7-10-24-15)19-25(22,23)12-5-6-14(18-11-12)20(2)3/h5-6,8-9,11,13,15,19H,4,7,10H2,1-3H3/t13-,15-/m1/s1
InChIKeyFOJMUDLPLXTRTJ-UKRRQHHQSA-N
XLogP1.17
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide (CID 126826695) is 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide is CCn1ccnc1[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide?
The InChIKey is FOJMUDLPLXTRTJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-4-21-9-8-17-16(21)15-13(7-10-24-15)19-25(22,23)12-5-6-14(18-11-12)20(2)3/h5-6,8-9,11,13,15,19H,4,7,10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide?
6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(2R,3R)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 126826695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).