N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C18H25N3O2S2 — CID 3240790

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C18H25N3O2S2/c1-15(19-25(22,23)16-7-4-3-5-8-16)18(17-9-6-14-24-17)21-12-10-20(2)11-13-21/h3-9,14-15,18-19H,10-13H2,1-2H3
InChIKeyDHZMYLVBOIKDLP-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 3240790) has the molecular formula C18H25N3O2S2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID3240790
Molecular FormulaC18H25N3O2S2
Molecular Weight379.55 g/mol
Exact Mass379.14
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C18H25N3O2S2/c1-15(19-25(22,23)16-7-4-3-5-8-16)18(17-9-6-14-24-17)21-12-10-20(2)11-13-21/h3-9,14-15,18-19H,10-13H2,1-2H3
InChIKeyDHZMYLVBOIKDLP-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 3240790) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is DHZMYLVBOIKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S2/c1-15(19-25(22,23)16-7-4-3-5-8-16)18(17-9-6-14-24-17)21-12-10-20(2)11-13-21/h3-9,14-15,18-19H,10-13H2,1-2H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 379.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3240790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).