5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine

C12H21N3O2S2 — CID 55110551

IUPAC5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-10(2)8-14-3-5-15(6-4-14)19(16,17)12-7-11(13)9-18-12/h7,9-10H,3-6,8,13H2,1-2H3
InChIKeyISYXMONOUDGUDD-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.29
Rot. Bonds4

About 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine

5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine (PubChem CID 55110551) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine
PubChem CID55110551
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H21N3O2S2/c1-10(2)8-14-3-5-15(6-4-14)19(16,17)12-7-11(13)9-18-12/h7,9-10H,3-6,8,13H2,1-2H3
InChIKeyISYXMONOUDGUDD-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine?
The IUPAC name of 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine (CID 55110551) is 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine.
What is the SMILES notation for 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine?
The canonical SMILES for 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine is CC(C)CN1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine?
The InChIKey is ISYXMONOUDGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-10(2)8-14-3-5-15(6-4-14)19(16,17)12-7-11(13)9-18-12/h7,9-10H,3-6,8,13H2,1-2H3.
What are the key properties of 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine?
5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine has a molecular weight of 303.45 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylthiophen-3-amine is sourced from PubChem (CID 55110551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).