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

C16H29N3O2S2 — CID 78878039

IUPAC2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)c(C)s1
InChIInChI=1S/C16H29N3O2S2/c1-12(2)15(19-8-6-18(5)7-9-19)11-17-23(20,21)16-10-13(3)22-14(16)4/h10,12,15,17H,6-9,11H2,1-5H3
InChIKeyHSONWLPTJXSUEW-UHFFFAOYSA-N
MW359.56 g/mol
LogP1.92
Rot. Bonds6

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

2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide (PubChem CID 78878039) has the molecular formula C16H29N3O2S2 and a molecular weight of 359.56 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
PubChem CID78878039
Molecular FormulaC16H29N3O2S2
Molecular Weight359.56 g/mol
Exact Mass359.17
IUPAC Name2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)c(C)s1
InChIInChI=1S/C16H29N3O2S2/c1-12(2)15(19-8-6-18(5)7-9-19)11-17-23(20,21)16-10-13(3)22-14(16)4/h10,12,15,17H,6-9,11H2,1-5H3
InChIKeyHSONWLPTJXSUEW-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
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-amino-3-hydroxybutyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64542146
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
CID 102692383
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 60531245
1-bromo-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]methanesulfonamide
CID 83092438
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
2,5-dimethyl-N-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]thiophene-3-sulfonamide
CID 75515433
2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
CID 97239246
4-chloro-3-cyano-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 60531244
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82017296

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide (CID 78878039) is 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide?
The InChIKey is HSONWLPTJXSUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S2/c1-12(2)15(19-8-6-18(5)7-9-19)11-17-23(20,21)16-10-13(3)22-14(16)4/h10,12,15,17H,6-9,11H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide has a molecular weight of 359.56 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide is sourced from PubChem (CID 78878039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).