N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide

C11H17N3O3S2 — CID 70848166

IUPACN-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C11H17N3O3S2/c1-12-19(16,17)10-7-9(8-18-10)11(15)14-5-3-13(2)4-6-14/h7-8,12H,3-6H2,1-2H3
InChIKeyQVWLOVFSBLNPAB-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.04
Rot. Bonds3

About N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide

N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 70848166) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID70848166
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC NameN-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)cs1
InChIInChI=1S/C11H17N3O3S2/c1-12-19(16,17)10-7-9(8-18-10)11(15)14-5-3-13(2)4-6-14/h7-8,12H,3-6H2,1-2H3
InChIKeyQVWLOVFSBLNPAB-UHFFFAOYSA-N
XLogP0.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 78913710
N-methyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 51160647
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
5-[(1-methylpyrrolidin-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 61356204
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
4-(azocane-1-carbonyl)thiophene-2-sulfonyl chloride
CID 65372779
4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 51270491
N-(2-methylbutan-2-yl)-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777544
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide (CID 70848166) is N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide is CNS(=O)(=O)c1cc(C(=O)N2CCN(C)CC2)cs1.
What is the InChIKey of N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is QVWLOVFSBLNPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-12-19(16,17)10-7-9(8-18-10)11(15)14-5-3-13(2)4-6-14/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide?
N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperazine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 70848166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).