2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride

C10H16ClN3O3S2 — CID 154750761

IUPAC2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(C(=O)N2CCNCC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C10H15N3O3S2.ClH/c1-7-9(18(11,15)16)6-8(17-7)10(14)13-4-2-12-3-5-13;/h6,12H,2-5H2,1H3,(H2,11,15,16);1H
InChIKeyXLWHZZCPLNKRBV-UHFFFAOYSA-N
MW325.84 g/mol
LogP0.17
Rot. Bonds2

About 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride

2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 154750761) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID154750761
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC Name2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1sc(C(=O)N2CCNCC2)cc1S(N)(=O)=O.Cl
InChIInChI=1S/C10H15N3O3S2.ClH/c1-7-9(18(11,15)16)6-8(17-7)10(14)13-4-2-12-3-5-13;/h6,12H,2-5H2,1H3,(H2,11,15,16);1H
InChIKeyXLWHZZCPLNKRBV-UHFFFAOYSA-N
XLogP0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride (CID 154750761) is 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride is Cc1sc(C(=O)N2CCNCC2)cc1S(N)(=O)=O.Cl.
What is the InChIKey of 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is XLWHZZCPLNKRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2.ClH/c1-7-9(18(11,15)16)6-8(17-7)10(14)13-4-2-12-3-5-13;/h6,12H,2-5H2,1H3,(H2,11,15,16);1H.
What are the key properties of 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride?
2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(piperazine-1-carbonyl)thiophene-3-sulfonamide;hydrochloride is sourced from PubChem (CID 154750761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).