N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

C14H27N3O3S — CID 120599459

IUPACN-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H27N3O3S/c1-3-9-21(19,20)17-8-4-5-13(17)14(18)16-12-6-7-15-11(2)10-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyPXBJKYLTCHEAPV-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.45
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide

N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 120599459) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID120599459
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C14H27N3O3S/c1-3-9-21(19,20)17-8-4-5-13(17)14(18)16-12-6-7-15-11(2)10-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyPXBJKYLTCHEAPV-UHFFFAOYSA-N
XLogP0.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide (CID 120599459) is N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)NC1CCNC(C)C1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is PXBJKYLTCHEAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-9-21(19,20)17-8-4-5-13(17)14(18)16-12-6-7-15-11(2)10-12/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide?
N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 120599459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).