3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine

C20H27N5O2S — CID 90039114

IUPAC3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine
SMILESO=S(=O)(C1CCCC1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C20H27N5O2S/c26-28(27,16-5-1-2-6-16)25-13-11-24(12-14-25)20-19(21-15-9-10-15)22-17-7-3-4-8-18(17)23-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,21,22)
InChIKeyKKFLHJLLLIKBFX-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine

3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine (PubChem CID 90039114) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine.

Molecular Properties

Compound Name3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine
PubChem CID90039114
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine
SMILESO=S(=O)(C1CCCC1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1
InChIInChI=1S/C20H27N5O2S/c26-28(27,16-5-1-2-6-16)25-13-11-24(12-14-25)20-19(21-15-9-10-15)22-17-7-3-4-8-18(17)23-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,21,22)
InChIKeyKKFLHJLLLIKBFX-UHFFFAOYSA-N
XLogP2.60
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine?
The IUPAC name of 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine (CID 90039114) is 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine.
What is the SMILES notation for 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine?
The canonical SMILES for 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine is O=S(=O)(C1CCCC1)N1CCN(c2nc3ccccc3nc2NC2CC2)CC1.
What is the InChIKey of 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine?
The InChIKey is KKFLHJLLLIKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c26-28(27,16-5-1-2-6-16)25-13-11-24(12-14-25)20-19(21-15-9-10-15)22-17-7-3-4-8-18(17)23-20/h3-4,7-8,15-16H,1-2,5-6,9-14H2,(H,21,22).
What are the key properties of 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine?
3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine has a molecular weight of 401.54 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylsulfonylpiperazin-1-yl)-N-cyclopropylquinoxalin-2-amine is sourced from PubChem (CID 90039114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).