4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine

C14H23FN4O2S — CID 133119156

IUPAC4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine
SMILESCCC[C@@H]1CN(c2ccncc2F)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H23FN4O2S/c1-4-5-11-9-19(14-6-7-16-8-12(14)15)10-13(11)17-22(20,21)18(2)3/h6-8,11,13,17H,4-5,9-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyCAIJAWXANGDUGZ-DGCLKSJQSA-N
MW330.43 g/mol
LogP1.22
Rot. Bonds6

About 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine

4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine (PubChem CID 133119156) has the molecular formula C14H23FN4O2S and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine.

Molecular Properties

Compound Name4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine
PubChem CID133119156
Molecular FormulaC14H23FN4O2S
Molecular Weight330.43 g/mol
Exact Mass330.15
IUPAC Name4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine
SMILESCCC[C@@H]1CN(c2ccncc2F)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C14H23FN4O2S/c1-4-5-11-9-19(14-6-7-16-8-12(14)15)10-13(11)17-22(20,21)18(2)3/h6-8,11,13,17H,4-5,9-10H2,1-3H3/t11-,13-/m1/s1
InChIKeyCAIJAWXANGDUGZ-DGCLKSJQSA-N
XLogP1.22
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine?
The IUPAC name of 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine (CID 133119156) is 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine.
What is the SMILES notation for 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine?
The canonical SMILES for 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine is CCC[C@@H]1CN(c2ccncc2F)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine?
The InChIKey is CAIJAWXANGDUGZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H23FN4O2S/c1-4-5-11-9-19(14-6-7-16-8-12(14)15)10-13(11)17-22(20,21)18(2)3/h6-8,11,13,17H,4-5,9-10H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine?
4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine has a molecular weight of 330.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propylpyrrolidin-1-yl]-3-fluoropyridine is sourced from PubChem (CID 133119156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).