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

C13H23N3O2S2 — CID 3236587

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O2S2/c1-11(14-20(3,17)18)13(12-5-4-10-19-12)16-8-6-15(2)7-9-16/h4-5,10-11,13-14H,6-9H2,1-3H3
InChIKeyNRNJUMUIHULYBM-UHFFFAOYSA-N
MW317.48 g/mol
LogP0.97
Rot. Bonds5

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

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (PubChem CID 3236587) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
PubChem CID3236587
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C13H23N3O2S2/c1-11(14-20(3,17)18)13(12-5-4-10-19-12)16-8-6-15(2)7-9-16/h4-5,10-11,13-14H,6-9H2,1-3H3
InChIKeyNRNJUMUIHULYBM-UHFFFAOYSA-N
XLogP0.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 50.97
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]methanesulfonamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (CID 3236587) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The InChIKey is NRNJUMUIHULYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-11(14-20(3,17)18)13(12-5-4-10-19-12)16-8-6-15(2)7-9-16/h4-5,10-11,13-14H,6-9H2,1-3H3.
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 0.97, 5 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]methanesulfonamide is sourced from PubChem (CID 3236587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).