5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine

C15H24N4O4S — CID 72938054

IUPAC5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H24N4O4S/c1-10(2)12-8-19(9-13(12)17-24(22,23)18(3)4)15(21)11-5-6-14(20)16-7-11/h5-7,10,12-13,17H,8-9H2,1-4H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyQASHVCJAEWWBLF-QWHCGFSZSA-N
MW356.45 g/mol
LogP-0.13
Rot. Bonds5

About 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine

5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine (PubChem CID 72938054) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine.

Molecular Properties

Compound Name5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine
PubChem CID72938054
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H24N4O4S/c1-10(2)12-8-19(9-13(12)17-24(22,23)18(3)4)15(21)11-5-6-14(20)16-7-11/h5-7,10,12-13,17H,8-9H2,1-4H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyQASHVCJAEWWBLF-QWHCGFSZSA-N
XLogP-0.13
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine?
The IUPAC name of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine (CID 72938054) is 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine.
What is the SMILES notation for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine?
The canonical SMILES for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine is CC(C)[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine?
The InChIKey is QASHVCJAEWWBLF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-10(2)12-8-19(9-13(12)17-24(22,23)18(3)4)15(21)11-5-6-14(20)16-7-11/h5-7,10,12-13,17H,8-9H2,1-4H3,(H,16,20)/t12-,13+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine?
5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine has a molecular weight of 356.45 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-2-oxo-1H-pyridine is sourced from PubChem (CID 72938054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).