4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide

C16H27N3O3S — CID 22551907

IUPAC4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C16H27N3O3S/c1-3-8-18(9-4-2)16(20)15-12-14(13-17-15)23(21,22)19-10-6-5-7-11-19/h12-13,17H,3-11H2,1-2H3
InChIKeyKQEMNYJZORQDBK-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.45
Rot. Bonds7

About 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide

4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide (PubChem CID 22551907) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide
PubChem CID22551907
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1
InChIInChI=1S/C16H27N3O3S/c1-3-8-18(9-4-2)16(20)15-12-14(13-17-15)23(21,22)19-10-6-5-7-11-19/h12-13,17H,3-11H2,1-2H3
InChIKeyKQEMNYJZORQDBK-UHFFFAOYSA-N
XLogP2.45
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide (CID 22551907) is 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide is CCCN(CCC)C(=O)c1cc(S(=O)(=O)N2CCCCC2)c[nH]1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide?
The InChIKey is KQEMNYJZORQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-3-8-18(9-4-2)16(20)15-12-14(13-17-15)23(21,22)19-10-6-5-7-11-19/h12-13,17H,3-11H2,1-2H3.
What are the key properties of 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide?
4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide has a molecular weight of 341.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N,N-dipropyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 22551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).