N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide

C15H20N4O2S2 — CID 17456582

IUPACN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C15H20N4O2S2/c1-18-6-8-19(9-7-18)14-5-4-13(11-16-14)12-17-23(20,21)15-3-2-10-22-15/h2-5,10-11,17H,6-9,12H2,1H3
InChIKeyNODZWXUQDBZSEQ-UHFFFAOYSA-N
MW352.49 g/mol
LogP1.37
Rot. Bonds5

About N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide (PubChem CID 17456582) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
PubChem CID17456582
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)CC1
InChIInChI=1S/C15H20N4O2S2/c1-18-6-8-19(9-7-18)14-5-4-13(11-16-14)12-17-23(20,21)15-3-2-10-22-15/h2-5,10-11,17H,6-9,12H2,1H3
InChIKeyNODZWXUQDBZSEQ-UHFFFAOYSA-N
XLogP1.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 4098
CID 4098
CID 7066
CID 7066
CID 24180707
CID 24180707
CID 778330
CID 778330
CID 13734
CID 13734
CID 3855039
CID 3855039
CID 16194574
CID 16194574
CID 6503958
CID 6503958
CID 46890320
CID 46890320
CID 2778658
CID 2778658
CID 4089541
CID 4089541
CID 715141
CID 715141

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide (CID 17456582) is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide is CN1CCN(c2ccc(CNS(=O)(=O)c3cccs3)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
The InChIKey is NODZWXUQDBZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-18-6-8-19(9-7-18)14-5-4-13(11-16-14)12-17-23(20,21)15-3-2-10-22-15/h2-5,10-11,17H,6-9,12H2,1H3.
What are the key properties of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide?
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide has a molecular weight of 352.49 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 17456582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).