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

C19H27N3O2S2 — CID 5310439

IUPACN-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2S2/c1-16(20-26(2,23)24)19(18-9-6-14-25-18)22-12-10-21(11-13-22)15-17-7-4-3-5-8-17/h3-9,14,16,19-20H,10-13,15H2,1-2H3
InChIKeyVQYZKSSGTGLXSA-UHFFFAOYSA-N
MW393.58 g/mol
LogP2.54
Rot. Bonds7

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

N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (PubChem CID 5310439) has the molecular formula C19H27N3O2S2 and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
PubChem CID5310439
Molecular FormulaC19H27N3O2S2
Molecular Weight393.58 g/mol
Exact Mass393.15
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N3O2S2/c1-16(20-26(2,23)24)19(18-9-6-14-25-18)22-12-10-21(11-13-22)15-17-7-4-3-5-8-17/h3-9,14,16,19-20H,10-13,15H2,1-2H3
InChIKeyVQYZKSSGTGLXSA-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide with MolForge

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Related Compounds

2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
2-(4-(propan-2-yl)phenyl)-2-(4H,5H,6H,7H-thieno(3,2-c)pyridin-5-yl)ethan-1-amine
CID 43180384
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627
(4-Benzylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanethione
CID 2455027
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide (CID 5310439) is N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
The InChIKey is VQYZKSSGTGLXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S2/c1-16(20-26(2,23)24)19(18-9-6-14-25-18)22-12-10-21(11-13-22)15-17-7-4-3-5-8-17/h3-9,14,16,19-20H,10-13,15H2,1-2H3.
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide?
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide has a molecular weight of 393.58 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 5310439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).