5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C16H28N4O3S — CID 129343540

IUPAC5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CCCNS(C)(=O)=O)n1C
InChIInChI=1S/C16H28N4O3S/c1-17-16(21)15-9-8-13(19(15)2)14-7-4-5-11-20(14)12-6-10-18-24(3,22)23/h8-9,14,18H,4-7,10-12H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyWXXXBTYHIXXATG-CQSZACIVSA-N
MW356.49 g/mol
LogP0.85
Rot. Bonds7

About 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129343540) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129343540
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC Name5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CCCNS(C)(=O)=O)n1C
InChIInChI=1S/C16H28N4O3S/c1-17-16(21)15-9-8-13(19(15)2)14-7-4-5-11-20(14)12-6-10-18-24(3,22)23/h8-9,14,18H,4-7,10-12H2,1-3H3,(H,17,21)/t14-/m1/s1
InChIKeyWXXXBTYHIXXATG-CQSZACIVSA-N
XLogP0.85
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129343540) is 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc([C@H]2CCCCN2CCCNS(C)(=O)=O)n1C.
What is the InChIKey of 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is WXXXBTYHIXXATG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-17-16(21)15-9-8-13(19(15)2)14-7-4-5-11-20(14)12-6-10-18-24(3,22)23/h8-9,14,18H,4-7,10-12H2,1-3H3,(H,17,21)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129343540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).