2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine

C15H25FN4O2S — CID 72926904

IUPAC2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine
SMILESCCN(C)S(=O)(=O)N[C@H]1CN(c2ccc(F)cn2)C[C@@H]1C(C)C
InChIInChI=1S/C15H25FN4O2S/c1-5-19(4)23(21,22)18-14-10-20(9-13(14)11(2)3)15-7-6-12(16)8-17-15/h6-8,11,13-14,18H,5,9-10H2,1-4H3/t13-,14+/m1/s1
InChIKeyVPEKISKQXDYTAI-KGLIPLIRSA-N
MW344.46 g/mol
LogP1.47
Rot. Bonds6

About 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine

2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine (PubChem CID 72926904) has the molecular formula C15H25FN4O2S and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine
PubChem CID72926904
Molecular FormulaC15H25FN4O2S
Molecular Weight344.46 g/mol
Exact Mass344.17
IUPAC Name2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine
SMILESCCN(C)S(=O)(=O)N[C@H]1CN(c2ccc(F)cn2)C[C@@H]1C(C)C
InChIInChI=1S/C15H25FN4O2S/c1-5-19(4)23(21,22)18-14-10-20(9-13(14)11(2)3)15-7-6-12(16)8-17-15/h6-8,11,13-14,18H,5,9-10H2,1-4H3/t13-,14+/m1/s1
InChIKeyVPEKISKQXDYTAI-KGLIPLIRSA-N
XLogP1.47
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine?
The IUPAC name of 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine (CID 72926904) is 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine.
What is the SMILES notation for 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine?
The canonical SMILES for 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine is CCN(C)S(=O)(=O)N[C@H]1CN(c2ccc(F)cn2)C[C@@H]1C(C)C.
What is the InChIKey of 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine?
The InChIKey is VPEKISKQXDYTAI-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H25FN4O2S/c1-5-19(4)23(21,22)18-14-10-20(9-13(14)11(2)3)15-7-6-12(16)8-17-15/h6-8,11,13-14,18H,5,9-10H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine?
2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine has a molecular weight of 344.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[ethyl(methyl)sulfamoyl]amino]-4-propan-2-ylpyrrolidin-1-yl]-5-fluoropyridine is sourced from PubChem (CID 72926904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).