N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide

C11H18N4O3S — CID 43362225

IUPACN,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCNCC2)cn1C
InChIInChI=1S/C11H18N4O3S/c1-12-11(16)10-7-9(8-14(10)2)19(17,18)15-5-3-13-4-6-15/h7-8,13H,3-6H2,1-2H3,(H,12,16)
InChIKeyVPBDIKRCWGHLHM-UHFFFAOYSA-N
MW286.36 g/mol
LogP-1.02
Rot. Bonds3

About N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide

N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide (PubChem CID 43362225) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
PubChem CID43362225
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCNCC2)cn1C
InChIInChI=1S/C11H18N4O3S/c1-12-11(16)10-7-9(8-14(10)2)19(17,18)15-5-3-13-4-6-15/h7-8,13H,3-6H2,1-2H3,(H,12,16)
InChIKeyVPBDIKRCWGHLHM-UHFFFAOYSA-N
XLogP-1.02
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide (CID 43362225) is N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCNCC2)cn1C.
What is the InChIKey of N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide?
The InChIKey is VPBDIKRCWGHLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-12-11(16)10-7-9(8-14(10)2)19(17,18)15-5-3-13-4-6-15/h7-8,13H,3-6H2,1-2H3,(H,12,16).
What are the key properties of N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide?
N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-piperazin-1-ylsulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 43362225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).