1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

C10H15N3O3S2 — CID 61298781

IUPAC1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C10H15N3O3S2/c1-8(14)12-2-4-13(5-3-12)18(15,16)10-6-9(11)7-17-10/h6-7H,2-5,11H2,1H3
InChIKeyJWSWIESDJNVKFS-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.18
Rot. Bonds2

About 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 61298781) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
PubChem CID61298781
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C10H15N3O3S2/c1-8(14)12-2-4-13(5-3-12)18(15,16)10-6-9(11)7-17-10/h6-7H,2-5,11H2,1H3
InChIKeyJWSWIESDJNVKFS-UHFFFAOYSA-N
XLogP0.18
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminothiophen-2-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81096834
5-(4-propylsulfonylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 61299606
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
1-(4-aminothiophen-2-yl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 61299196
methyl 3-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]propanoate
CID 115533458
2-[4-(4-aminothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 61298632
1-[4-(4-amino-2,6-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 60984608
5-(4-methylazepan-1-yl)sulfonylthiophen-3-amine
CID 63623700
1-(4-aminothiophen-2-yl)sulfonyl-3-methylpyrrolidine-3-carboxamide
CID 114081677
5-(3-azaspiro[5.5]undecan-3-ylsulfonyl)thiophen-3-amine
CID 62936523
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065
N-[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]ethanesulfonamide
CID 61299995

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone (CID 61298781) is 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is JWSWIESDJNVKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-8(14)12-2-4-13(5-3-12)18(15,16)10-6-9(11)7-17-10/h6-7H,2-5,11H2,1H3.
What are the key properties of 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 289.38 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 61298781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).