1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one

C14H20N6O4S — CID 119103978

IUPAC1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)N2CCC(n3cc(C4CC4)nn3)C2)C1=O
InChIInChI=1S/C14H20N6O4S/c1-25(23,24)20-7-6-18(14(20)22)13(21)17-5-4-11(8-17)19-9-12(15-16-19)10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyFANLQZOVSLEEDA-UHFFFAOYSA-N
MW368.42 g/mol
LogP0.22
Rot. Bonds3

About 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one

1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one (PubChem CID 119103978) has the molecular formula C14H20N6O4S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one
PubChem CID119103978
Molecular FormulaC14H20N6O4S
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one
SMILESCS(=O)(=O)N1CCN(C(=O)N2CCC(n3cc(C4CC4)nn3)C2)C1=O
InChIInChI=1S/C14H20N6O4S/c1-25(23,24)20-7-6-18(14(20)22)13(21)17-5-4-11(8-17)19-9-12(15-16-19)10-2-3-10/h9-11H,2-8H2,1H3
InChIKeyFANLQZOVSLEEDA-UHFFFAOYSA-N
XLogP0.22
TPSA108.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one?
The IUPAC name of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one (CID 119103978) is 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one?
The canonical SMILES for 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one is CS(=O)(=O)N1CCN(C(=O)N2CCC(n3cc(C4CC4)nn3)C2)C1=O.
What is the InChIKey of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one?
The InChIKey is FANLQZOVSLEEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O4S/c1-25(23,24)20-7-6-18(14(20)22)13(21)17-5-4-11(8-17)19-9-12(15-16-19)10-2-3-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one?
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one has a molecular weight of 368.42 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-3-methylsulfonylimidazolidin-2-one is sourced from PubChem (CID 119103978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).