5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine

C12H21N3O2S2 — CID 55117738

IUPAC5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCCC(C)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-3-10(2)14-4-6-15(7-5-14)19(16,17)12-8-11(13)9-18-12/h8-10H,3-7,13H2,1-2H3
InChIKeyMQJWYTLLCXSVPY-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.44
Rot. Bonds4

About 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine

5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine (PubChem CID 55117738) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine
PubChem CID55117738
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine
SMILESCCC(C)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-3-10(2)14-4-6-15(7-5-14)19(16,17)12-8-11(13)9-18-12/h8-10H,3-7,13H2,1-2H3
InChIKeyMQJWYTLLCXSVPY-UHFFFAOYSA-N
XLogP1.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine?
The IUPAC name of 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine (CID 55117738) is 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine.
What is the SMILES notation for 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine?
The canonical SMILES for 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine is CCC(C)N1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine?
The InChIKey is MQJWYTLLCXSVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-3-10(2)14-4-6-15(7-5-14)19(16,17)12-8-11(13)9-18-12/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine?
5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine has a molecular weight of 303.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylpiperazin-1-yl)sulfonylthiophen-3-amine is sourced from PubChem (CID 55117738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).