2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine

C15H22F2N4O3S — CID 156604716

IUPAC2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine
SMILESCC(C)C1CN(C(=O)c2ncc(F)cc2F)CC1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H22F2N4O3S/c1-9(2)11-7-21(8-13(11)19-25(23,24)20(3)4)15(22)14-12(17)5-10(16)6-18-14/h5-6,9,11,13,19H,7-8H2,1-4H3
InChIKeyCNQSIHLWNHBVKZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP0.85
Rot. Bonds5

About 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine

2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine (PubChem CID 156604716) has the molecular formula C15H22F2N4O3S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine
PubChem CID156604716
Molecular FormulaC15H22F2N4O3S
Molecular Weight376.43 g/mol
Exact Mass376.14
IUPAC Name2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine
SMILESCC(C)C1CN(C(=O)c2ncc(F)cc2F)CC1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H22F2N4O3S/c1-9(2)11-7-21(8-13(11)19-25(23,24)20(3)4)15(22)14-12(17)5-10(16)6-18-14/h5-6,9,11,13,19H,7-8H2,1-4H3
InChIKeyCNQSIHLWNHBVKZ-UHFFFAOYSA-N
XLogP0.85
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine?
The IUPAC name of 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine (CID 156604716) is 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine.
What is the SMILES notation for 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine?
The canonical SMILES for 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine is CC(C)C1CN(C(=O)c2ncc(F)cc2F)CC1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine?
The InChIKey is CNQSIHLWNHBVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3S/c1-9(2)11-7-21(8-13(11)19-25(23,24)20(3)4)15(22)14-12(17)5-10(16)6-18-14/h5-6,9,11,13,19H,7-8H2,1-4H3.
What are the key properties of 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine?
2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine has a molecular weight of 376.43 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-3,5-difluoropyridine is sourced from PubChem (CID 156604716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).