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

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
N-[2-(dimethylamino)ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 6602863
N-[2-(benzenesulfonyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 14855226
US10807974, Example 33
CID 130358270
1-(2-(Thiophen-2-yl)ethyl)piperazine
CID 2737274
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
2,5-dimethyl-N-[2-(morpholin-4-yl)ethyl]thiophene-3-sulfonamide
CID 715945
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]piperazine hydrochloride
CID 47002261
1-(Ethylsulfonyl)-4-(2-thienylmethyl)piperazine
CID 770545
5-methyl-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 2090988
N-[2-(Dimethylamino)ethyl]-2,5-dimethyl-3-thiophenesulfonamide
CID 717969
3-[(Sulfamoylamino)methyl]-1-(2-thiophen-2-ylethyl)piperidine
CID 53593135

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).