5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide

C10H15N3O3S2 — CID 122565384

IUPAC5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide
SMILESCC1CNCCN1S(=O)(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C10H15N3O3S2/c1-7-5-12-2-3-13(7)18(15,16)9-4-8(6-17-9)10(11)14/h4,6-7,12H,2-3,5H2,1H3,(H2,11,14)
InChIKeyJEHNJAGDGUMMRM-UHFFFAOYSA-N
MW289.38 g/mol
LogP-0.17
Rot. Bonds3

About 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide

5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide (PubChem CID 122565384) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide
PubChem CID122565384
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide
SMILESCC1CNCCN1S(=O)(=O)c1cc(C(N)=O)cs1
InChIInChI=1S/C10H15N3O3S2/c1-7-5-12-2-3-13(7)18(15,16)9-4-8(6-17-9)10(11)14/h4,6-7,12H,2-3,5H2,1H3,(H2,11,14)
InChIKeyJEHNJAGDGUMMRM-UHFFFAOYSA-N
XLogP-0.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 84606448
(2R)-2-methyl-1-thiophen-2-ylsulfonylpiperazine;hydrochloride
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(2S)-1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-2-methylpiperazine
CID 82755670
1-(4-carbamoylthiophen-2-yl)sulfonyl-N-ethylpyrrolidine-3-carboxamide
CID 131920678
methyl 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylthiophene-3-carboxylate
CID 120895246
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
(2S)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine
CID 82756368
(2S)-2-methyl-1-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 82756064
N-methyl-4-[(2R)-2-methylpiperazin-1-yl]sulfonylbenzamide
CID 82755291
5-[(2S)-2-methylpiperazin-1-yl]sulfonylthiophene-2-carbonitrile
CID 106273020
(2R)-1-(3,5-difluorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716849

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide?
The IUPAC name of 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide (CID 122565384) is 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide.
What is the SMILES notation for 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide?
The canonical SMILES for 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide is CC1CNCCN1S(=O)(=O)c1cc(C(N)=O)cs1.
What is the InChIKey of 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide?
The InChIKey is JEHNJAGDGUMMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-7-5-12-2-3-13(7)18(15,16)9-4-8(6-17-9)10(11)14/h4,6-7,12H,2-3,5H2,1H3,(H2,11,14).
What are the key properties of 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide?
5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperazin-1-yl)sulfonylthiophene-3-carboxamide is sourced from PubChem (CID 122565384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).