[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

C20H28N3O3S2+ — CID 8504371

IUPAC[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C20H27N3O3S2/c1-22(2)18(19-9-6-14-27-19)15-21-20(24)16-10-12-23(13-11-16)28(25,26)17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyWKNHHZCFGZYRRP-SFHVURJKSA-O
MW422.60 g/mol
LogP1.15
Rot. Bonds7

About [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium

[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium (PubChem CID 8504371) has the molecular formula C20H28N3O3S2+ and a molecular weight of 422.60 g/mol. Its IUPAC name is [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
PubChem CID8504371
Molecular FormulaC20H28N3O3S2+
Molecular Weight422.60 g/mol
Exact Mass422.16
IUPAC Name[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C20H27N3O3S2/c1-22(2)18(19-9-6-14-27-19)15-21-20(24)16-10-12-23(13-11-16)28(25,26)17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyWKNHHZCFGZYRRP-SFHVURJKSA-O
XLogP1.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium 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

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 4808890
1-(benzenesulfonyl)-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
CID 24650068
1-(benzenesulfonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]piperidine-4-carboxamide
CID 46414357
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(4-fluorophenyl)sulfonyl-N-(1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 55907091
1-(benzenesulfonyl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 55723351
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 94617755
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 55661869

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The IUPAC name of [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium (CID 8504371) is [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The canonical SMILES for [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium is C[NH+](C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccs1.
What is the InChIKey of [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
The InChIKey is WKNHHZCFGZYRRP-SFHVURJKSA-O. The full InChI is InChI=1S/C20H27N3O3S2/c1-22(2)18(19-9-6-14-27-19)15-21-20(24)16-10-12-23(13-11-16)28(25,26)17-7-4-3-5-8-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,21,24)/p+1/t18-/m0/s1.
What are the key properties of [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium?
[(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium has a molecular weight of 422.60 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium is sourced from PubChem (CID 8504371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).