N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

C14H19N5O3S2 — CID 120879894

IUPACN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESCn1ccnc1C1CNCCN1C(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H19N5O3S2/c1-18-6-5-16-14(18)11-9-15-4-7-19(11)12(20)10-17-24(21,22)13-3-2-8-23-13/h2-3,5-6,8,11,15,17H,4,7,9-10H2,1H3
InChIKeyLJOTUPUDWMUFQM-UHFFFAOYSA-N
MW369.47 g/mol
LogP-0.07
Rot. Bonds5

About N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 120879894) has the molecular formula C14H19N5O3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID120879894
Molecular FormulaC14H19N5O3S2
Molecular Weight369.47 g/mol
Exact Mass369.09
IUPAC NameN-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESCn1ccnc1C1CNCCN1C(=O)CNS(=O)(=O)c1cccs1
InChIInChI=1S/C14H19N5O3S2/c1-18-6-5-16-14(18)11-9-15-4-7-19(11)12(20)10-17-24(21,22)13-3-2-8-23-13/h2-3,5-6,8,11,15,17H,4,7,9-10H2,1H3
InChIKeyLJOTUPUDWMUFQM-UHFFFAOYSA-N
XLogP-0.07
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 120879894) is N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is Cn1ccnc1C1CNCCN1C(=O)CNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is LJOTUPUDWMUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S2/c1-18-6-5-16-14(18)11-9-15-4-7-19(11)12(20)10-17-24(21,22)13-3-2-8-23-13/h2-3,5-6,8,11,15,17H,4,7,9-10H2,1H3.
What are the key properties of N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 369.47 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 120879894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).