3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine

C8H19N3O2S — CID 60909810

IUPAC3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine
SMILESCN1CCN(S(=O)(=O)CCCN)CC1
InChIInChI=1S/C8H19N3O2S/c1-10-4-6-11(7-5-10)14(12,13)8-2-3-9/h2-9H2,1H3
InChIKeyZTHBFMCQMZPAFW-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.09
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine

3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine (PubChem CID 60909810) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine
PubChem CID60909810
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine
SMILESCN1CCN(S(=O)(=O)CCCN)CC1
InChIInChI=1S/C8H19N3O2S/c1-10-4-6-11(7-5-10)14(12,13)8-2-3-9/h2-9H2,1H3
InChIKeyZTHBFMCQMZPAFW-UHFFFAOYSA-N
XLogP-1.09
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine (CID 60909810) is 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine is CN1CCN(S(=O)(=O)CCCN)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine?
The InChIKey is ZTHBFMCQMZPAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-10-4-6-11(7-5-10)14(12,13)8-2-3-9/h2-9H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine?
3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine has a molecular weight of 221.33 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 60909810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).