N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide

C12H21N3O4S3 — CID 131702793

IUPACN,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H21N3O4S3/c1-14(2)22(18,19)15-7-5-11(6-8-15)10-13-21(16,17)12-4-3-9-20-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyPEFQMABPDIXDOL-UHFFFAOYSA-N
MW367.52 g/mol
LogP0.54
Rot. Bonds6

About N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide

N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide (PubChem CID 131702793) has the molecular formula C12H21N3O4S3 and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
PubChem CID131702793
Molecular FormulaC12H21N3O4S3
Molecular Weight367.52 g/mol
Exact Mass367.07
IUPAC NameN,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C12H21N3O4S3/c1-14(2)22(18,19)15-7-5-11(6-8-15)10-13-21(16,17)12-4-3-9-20-12/h3-4,9,11,13H,5-8,10H2,1-2H3
InChIKeyPEFQMABPDIXDOL-UHFFFAOYSA-N
XLogP0.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
4-[[(4-cyanophenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161873
4-[[(4-methoxy-2-methylphenyl)sulfonylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 122161855
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122161874
4-ethyl-1-thiophen-2-ylsulfonylpiperidine
CID 129259597
N-[(3-hydroxycyclobutyl)methyl]thiophene-2-sulfonamide
CID 66006317
N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
CID 122161875
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210607
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 90521136
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 56760043

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide (CID 131702793) is N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is PEFQMABPDIXDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S3/c1-14(2)22(18,19)15-7-5-11(6-8-15)10-13-21(16,17)12-4-3-9-20-12/h3-4,9,11,13H,5-8,10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 367.52 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(thiophen-2-ylsulfonylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 131702793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).