4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide

C13H21N3O3S — CID 24791933

IUPAC4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C13H21N3O3S/c1-2-6-14-13(17)12-9-11(10-15-12)20(18,19)16-7-4-3-5-8-16/h9-10,15H,2-8H2,1H3,(H,14,17)
InChIKeyIZGRWDNUJMCFFZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.33
Rot. Bonds5

About 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide

4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide (PubChem CID 24791933) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
PubChem CID24791933
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C13H21N3O3S/c1-2-6-14-13(17)12-9-11(10-15-12)20(18,19)16-7-4-3-5-8-16/h9-10,15H,2-8H2,1H3,(H,14,17)
InChIKeyIZGRWDNUJMCFFZ-UHFFFAOYSA-N
XLogP1.33
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide (CID 24791933) is 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide is CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
The InChIKey is IZGRWDNUJMCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-6-14-13(17)12-9-11(10-15-12)20(18,19)16-7-4-3-5-8-16/h9-10,15H,2-8H2,1H3,(H,14,17).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide?
4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-propyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24791933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).