5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide

C15H27N3O2S2 — CID 56685915

IUPAC5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)s1
InChIInChI=1S/C15H27N3O2S2/c1-12(2)14(18-9-7-17(4)8-10-18)11-16-22(19,20)15-6-5-13(3)21-15/h5-6,12,14,16H,7-11H2,1-4H3
InChIKeyNGJDEPCIGMCLHI-UHFFFAOYSA-N
MW345.53 g/mol
LogP1.61
Rot. Bonds6

About 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide

5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide (PubChem CID 56685915) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
PubChem CID56685915
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC Name5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)s1
InChIInChI=1S/C15H27N3O2S2/c1-12(2)14(18-9-7-17(4)8-10-18)11-16-22(19,20)15-6-5-13(3)21-15/h5-6,12,14,16H,7-11H2,1-4H3
InChIKeyNGJDEPCIGMCLHI-UHFFFAOYSA-N
XLogP1.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039
5-methyl-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606719
5-methyl-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]thiophene-2-sulfonamide
CID 30606723
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 7498370
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
CID 102692383
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
3-methyl-2-[[(5-methylthiophen-2-yl)sulfonylamino]methyl]butanoic acid
CID 65221421
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 60531245

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide (CID 56685915) is 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide?
The InChIKey is NGJDEPCIGMCLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S2/c1-12(2)14(18-9-7-17(4)8-10-18)11-16-22(19,20)15-6-5-13(3)21-15/h5-6,12,14,16H,7-11H2,1-4H3.
What are the key properties of 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide?
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide has a molecular weight of 345.53 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide is sourced from PubChem (CID 56685915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).