5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine

C11H19N3O2S2 — CID 63605065

IUPAC5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCCC1CN(S(=O)(=O)c2cc(N)cs2)CCN1C
InChIInChI=1S/C11H19N3O2S2/c1-3-10-7-14(5-4-13(10)2)18(15,16)11-6-9(12)8-17-11/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyLRPKWEIUCPJDHT-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.04
Rot. Bonds3

About 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine

5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine (PubChem CID 63605065) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
PubChem CID63605065
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCCC1CN(S(=O)(=O)c2cc(N)cs2)CCN1C
InChIInChI=1S/C11H19N3O2S2/c1-3-10-7-14(5-4-13(10)2)18(15,16)11-6-9(12)8-17-11/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyLRPKWEIUCPJDHT-UHFFFAOYSA-N
XLogP1.04
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine (CID 63605065) is 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine is CCC1CN(S(=O)(=O)c2cc(N)cs2)CCN1C.
What is the InChIKey of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine?
The InChIKey is LRPKWEIUCPJDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-3-10-7-14(5-4-13(10)2)18(15,16)11-6-9(12)8-17-11/h6,8,10H,3-5,7,12H2,1-2H3.
What are the key properties of 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine?
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine has a molecular weight of 289.43 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 63605065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).