N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide

C15H21N3O4S2 — CID 166406523

IUPACN-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H21N3O4S2/c1-3-13(19)17(2)11-14(20)18-8-6-12(7-9-18)16-24(21,22)15-5-4-10-23-15/h3-5,10,12,16H,1,6-9,11H2,2H3
InChIKeyLZAYXAHWTAJFOY-UHFFFAOYSA-N
MW371.48 g/mol
LogP0.66
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide

N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide (PubChem CID 166406523) has the molecular formula C15H21N3O4S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
PubChem CID166406523
Molecular FormulaC15H21N3O4S2
Molecular Weight371.48 g/mol
Exact Mass371.10
IUPAC NameN-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C15H21N3O4S2/c1-3-13(19)17(2)11-14(20)18-8-6-12(7-9-18)16-24(21,22)15-5-4-10-23-15/h3-5,10,12,16H,1,6-9,11H2,2H3
InChIKeyLZAYXAHWTAJFOY-UHFFFAOYSA-N
XLogP0.66
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[(6-chloropyridazin-3-yl)-methylamino]acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39122749
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-[1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 38170585
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide (CID 166406523) is N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide?
The InChIKey is LZAYXAHWTAJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S2/c1-3-13(19)17(2)11-14(20)18-8-6-12(7-9-18)16-24(21,22)15-5-4-10-23-15/h3-5,10,12,16H,1,6-9,11H2,2H3.
What are the key properties of N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide?
N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide has a molecular weight of 371.48 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 166406523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).