N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide

C12H19N3O3S2 — CID 119443055

IUPACN-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCN(C(=O)CNS(=O)(=O)c1cccs1)C1CCNCC1
InChIInChI=1S/C12H19N3O3S2/c1-15(10-4-6-13-7-5-10)11(16)9-14-20(17,18)12-3-2-8-19-12/h2-3,8,10,13-14H,4-7,9H2,1H3
InChIKeyAVXVQXPWJKKYIJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.24
Rot. Bonds5

About N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide

N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide (PubChem CID 119443055) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide
PubChem CID119443055
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC NameN-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide
SMILESCN(C(=O)CNS(=O)(=O)c1cccs1)C1CCNCC1
InChIInChI=1S/C12H19N3O3S2/c1-15(10-4-6-13-7-5-10)11(16)9-14-20(17,18)12-3-2-8-19-12/h2-3,8,10,13-14H,4-7,9H2,1H3
InChIKeyAVXVQXPWJKKYIJ-UHFFFAOYSA-N
XLogP0.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
3-(carbamoylamino)-N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide
CID 119443018
2-[piperidin-4-yl(thiophen-2-ylsulfonyl)amino]acetamide
CID 60802279
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 119387925
N-(2-methylprop-2-enyl)thiophene-2-sulfonamide
CID 114616390
N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 120658920
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 24671323
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95395150

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide (CID 119443055) is N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide is CN(C(=O)CNS(=O)(=O)c1cccs1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide?
The InChIKey is AVXVQXPWJKKYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-15(10-4-6-13-7-5-10)11(16)9-14-20(17,18)12-3-2-8-19-12/h2-3,8,10,13-14H,4-7,9H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide?
N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)acetamide is sourced from PubChem (CID 119443055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).