4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide

C10H15N3O3S2 — CID 61129944

IUPAC4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C10H15N3O3S2/c11-18(15,16)13-4-2-12(3-5-13)10(14)7-9-1-6-17-8-9/h1,6,8H,2-5,7H2,(H2,11,15,16)
InChIKeyWJGPNRIXDFVLHN-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.36
Rot. Bonds3

About 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide

4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide (PubChem CID 61129944) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
PubChem CID61129944
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)Cc2ccsc2)CC1
InChIInChI=1S/C10H15N3O3S2/c11-18(15,16)13-4-2-12(3-5-13)10(14)7-9-1-6-17-8-9/h1,6,8H,2-5,7H2,(H2,11,15,16)
InChIKeyWJGPNRIXDFVLHN-UHFFFAOYSA-N
XLogP-0.36
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 4820511
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanethioamide
CID 63339604
1-[4-(3-aminophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 43461699
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-thiophen-3-ylethanone
CID 136527078
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]propanenitrile
CID 63337850
4-(2-thiophen-3-ylacetyl)piperazine-2,6-dione
CID 66085882
2-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]butanenitrile
CID 63337816

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide (CID 61129944) is 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)Cc2ccsc2)CC1.
What is the InChIKey of 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide?
The InChIKey is WJGPNRIXDFVLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c11-18(15,16)13-4-2-12(3-5-13)10(14)7-9-1-6-17-8-9/h1,6,8H,2-5,7H2,(H2,11,15,16).
What are the key properties of 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide?
4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylacetyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61129944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).