N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide

C12H21N3O2S2 — CID 120874591

IUPACN-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1cccs1)NCCN1CCNCC1
InChIInChI=1S/C12H21N3O2S2/c16-19(17,11-3-12-2-1-10-18-12)14-6-9-15-7-4-13-5-8-15/h1-2,10,13-14H,3-9,11H2
InChIKeyGJFXCUSDFNNUDY-UHFFFAOYSA-N
MW303.45 g/mol
LogP0.12
Rot. Bonds7

About N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide

N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide (PubChem CID 120874591) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
PubChem CID120874591
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC NameN-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1cccs1)NCCN1CCNCC1
InChIInChI=1S/C12H21N3O2S2/c16-19(17,11-3-12-2-1-10-18-12)14-6-9-15-7-4-13-5-8-15/h1-2,10,13-14H,3-9,11H2
InChIKeyGJFXCUSDFNNUDY-UHFFFAOYSA-N
XLogP0.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
N-(2-aminoethyl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874392
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
N-piperidin-4-yl-2-thiophen-2-ylethanesulfonamide
CID 120874425
1-(2-thiophen-2-ylethylsulfonyl)-1,4-diazepane;hydrochloride
CID 120999403
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
1-(thiophen-2-ylmethyl)piperazine
CID 566208
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-thiophen-2-ylethanesulfonamide
CID 120877176
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
N-[2-(2-methylphenyl)ethyl]-2-piperazin-1-ylethanesulfonamide
CID 79756190
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
2-(2-fluorophenoxy)-N-(2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 154911727

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide (CID 120874591) is N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide is O=S(=O)(CCc1cccs1)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide?
The InChIKey is GJFXCUSDFNNUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c16-19(17,11-3-12-2-1-10-18-12)14-6-9-15-7-4-13-5-8-15/h1-2,10,13-14H,3-9,11H2.
What are the key properties of N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide?
N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide has a molecular weight of 303.45 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-thiophen-2-ylethanesulfonamide is sourced from PubChem (CID 120874591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).