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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129332120
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337672
5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129338308
N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129002539
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007648
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276
5-[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342544
5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945
5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129006816
5-[(2S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342543

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).