2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine

C9H19N3O2S — CID 45496791

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine
SMILESNCCN1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H19N3O2S/c10-3-4-11-5-7-12(8-6-11)15(13,14)9-1-2-9/h9H,1-8,10H2
InChIKeyMESYZSKDKPJSHI-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.95
Rot. Bonds4

About 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine

2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine (PubChem CID 45496791) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine
PubChem CID45496791
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine
SMILESNCCN1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C9H19N3O2S/c10-3-4-11-5-7-12(8-6-11)15(13,14)9-1-2-9/h9H,1-8,10H2
InChIKeyMESYZSKDKPJSHI-UHFFFAOYSA-N
XLogP-0.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine (CID 45496791) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine is NCCN1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine?
The InChIKey is MESYZSKDKPJSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c10-3-4-11-5-7-12(8-6-11)15(13,14)9-1-2-9/h9H,1-8,10H2.
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine?
2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of -0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 45496791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).