1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide

C12H21N3O4S — CID 50878223

IUPAC1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC2C(N)=O)CC1
InChIInChI=1S/C12H21N3O4S/c1-20(18,19)14-7-4-9(5-8-14)12(17)15-6-2-3-10(15)11(13)16/h9-10H,2-8H2,1H3,(H2,13,16)
InChIKeyRWECSOASYSBRSV-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.87
Rot. Bonds3

About 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide

1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 50878223) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID50878223
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCCC2C(N)=O)CC1
InChIInChI=1S/C12H21N3O4S/c1-20(18,19)14-7-4-9(5-8-14)12(17)15-6-2-3-10(15)11(13)16/h9-10H,2-8H2,1H3,(H2,13,16)
InChIKeyRWECSOASYSBRSV-UHFFFAOYSA-N
XLogP-0.87
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide (CID 50878223) is 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC(C(=O)N2CCCC2C(N)=O)CC1.
What is the InChIKey of 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RWECSOASYSBRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-20(18,19)14-7-4-9(5-8-14)12(17)15-6-2-3-10(15)11(13)16/h9-10H,2-8H2,1H3,(H2,13,16).
What are the key properties of 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide?
1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpiperidine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50878223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).