N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide

C11H17N3OS2 — CID 107024051

IUPACN-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc(S)cs1
InChIInChI=1S/C11H17N3OS2/c15-11(10-7-9(16)8-17-10)13-3-6-14-4-1-12-2-5-14/h7-8,12,16H,1-6H2,(H,13,15)
InChIKeyFGXBLEDWTDDIGK-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.67
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide

N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide (PubChem CID 107024051) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
PubChem CID107024051
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC NameN-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)c1cc(S)cs1
InChIInChI=1S/C11H17N3OS2/c15-11(10-7-9(16)8-17-10)13-3-6-14-4-1-12-2-5-14/h7-8,12,16H,1-6H2,(H,13,15)
InChIKeyFGXBLEDWTDDIGK-UHFFFAOYSA-N
XLogP0.67
TPSA44.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(methylsulfamoyl)-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 119448759
4-acetyl-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 119390974
2-methyl-N-(2-piperazin-1-ylethyl)-5-sulfanylbenzamide
CID 107024052
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
N-[2-(carbamoylamino)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107034097
N-(2-acetamidoethyl)-4-sulfanylthiophene-2-carboxamide
CID 107022996
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
N-(2-piperazin-1-ylethyl)thiadiazole-4-carboxamide
CID 65216444
6-fluoro-N-(2-piperazin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105318
N-(2-piperazin-1-ylethyl)-1-benzothiophene-5-carboxamide
CID 119446532
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 119391130

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide (CID 107024051) is N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide is O=C(NCCN1CCNCC1)c1cc(S)cs1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide?
The InChIKey is FGXBLEDWTDDIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c15-11(10-7-9(16)8-17-10)13-3-6-14-4-1-12-2-5-14/h7-8,12,16H,1-6H2,(H,13,15).
What are the key properties of N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide?
N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide has a molecular weight of 271.41 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107024051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).