3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine

C15H25N5O4S — CID 72837604

IUPAC3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H25N5O4S/c1-10(2)11-8-20(9-13(11)17-25(23,24)18(3)4)15(22)12-6-7-14(21)19(5)16-12/h6-7,10-11,13,17H,8-9H2,1-5H3/t11-,13+/m0/s1
InChIKeyFPLPAEJHEFXTPH-WCQYABFASA-N
MW371.46 g/mol
LogP-0.73
Rot. Bonds5

About 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine

3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine (PubChem CID 72837604) has the molecular formula C15H25N5O4S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine.

Molecular Properties

Compound Name3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine
PubChem CID72837604
Molecular FormulaC15H25N5O4S
Molecular Weight371.46 g/mol
Exact Mass371.16
IUPAC Name3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine
SMILESCC(C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1NS(=O)(=O)N(C)C
InChIInChI=1S/C15H25N5O4S/c1-10(2)11-8-20(9-13(11)17-25(23,24)18(3)4)15(22)12-6-7-14(21)19(5)16-12/h6-7,10-11,13,17H,8-9H2,1-5H3/t11-,13+/m0/s1
InChIKeyFPLPAEJHEFXTPH-WCQYABFASA-N
XLogP-0.73
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine?
The IUPAC name of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine (CID 72837604) is 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine.
What is the SMILES notation for 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine?
The canonical SMILES for 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine is CC(C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1NS(=O)(=O)N(C)C.
What is the InChIKey of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine?
The InChIKey is FPLPAEJHEFXTPH-WCQYABFASA-N. The full InChI is InChI=1S/C15H25N5O4S/c1-10(2)11-8-20(9-13(11)17-25(23,24)18(3)4)15(22)12-6-7-14(21)19(5)16-12/h6-7,10-11,13,17H,8-9H2,1-5H3/t11-,13+/m0/s1.
What are the key properties of 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine?
3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine has a molecular weight of 371.46 g/mol, XLogP of -0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidine-1-carbonyl]-1-methyl-6-oxopyridazine is sourced from PubChem (CID 72837604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).