N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C20H33N3O3S2 — CID 28564477

IUPACN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C20H33N3O3S2/c1-16-13-17(2)15-22(14-16)9-4-8-21-20(24)18-6-10-23(11-7-18)28(25,26)19-5-3-12-27-19/h3,5,12,16-18H,4,6-11,13-15H2,1-2H3,(H,21,24)/t16-,17-/m1/s1
InChIKeyWUJGMCVCGYCATE-IAGOWNOFSA-N
MW427.64 g/mol
LogP2.63
Rot. Bonds7

About N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 28564477) has the molecular formula C20H33N3O3S2 and a molecular weight of 427.64 g/mol. Its IUPAC name is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID28564477
Molecular FormulaC20H33N3O3S2
Molecular Weight427.64 g/mol
Exact Mass427.20
IUPAC NameN-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C20H33N3O3S2/c1-16-13-17(2)15-22(14-16)9-4-8-21-20(24)18-6-10-23(11-7-18)28(25,26)19-5-3-12-27-19/h3,5,12,16-18H,4,6-11,13-15H2,1-2H3,(H,21,24)/t16-,17-/m1/s1
InChIKeyWUJGMCVCGYCATE-IAGOWNOFSA-N
XLogP2.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-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

(3R)-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019515
N-[3-(4-methylpiperazin-1-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43905757
N-(3-anilinopropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 56586345
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55781972
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 36527366
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]butyl]piperidine-4-carboxamide
CID 51960514
1-(benzenesulfonyl)-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167065
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 94617755

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 28564477) is N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is C[C@@H]1C[C@@H](C)CN(CCCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1.
What is the InChIKey of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is WUJGMCVCGYCATE-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H33N3O3S2/c1-16-13-17(2)15-22(14-16)9-4-8-21-20(24)18-6-10-23(11-7-18)28(25,26)19-5-3-12-27-19/h3,5,12,16-18H,4,6-11,13-15H2,1-2H3,(H,21,24)/t16-,17-/m1/s1.
What are the key properties of N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 427.64 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 28564477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).