[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine

C14H30N4O2S — CID 69354715

IUPAC[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine
SMILESCN1CCN(S(=O)(=O)CCCN2CCC(CN)CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-16-8-10-18(11-9-16)21(19,20)12-2-5-17-6-3-14(13-15)4-7-17/h14H,2-13,15H2,1H3
InChIKeyKZXMGDQYAMQVIH-UHFFFAOYSA-N
MW318.49 g/mol
LogP-0.38
Rot. Bonds6

About [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine

[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine (PubChem CID 69354715) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine
PubChem CID69354715
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine
SMILESCN1CCN(S(=O)(=O)CCCN2CCC(CN)CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-16-8-10-18(11-9-16)21(19,20)12-2-5-17-6-3-14(13-15)4-7-17/h14H,2-13,15H2,1H3
InChIKeyKZXMGDQYAMQVIH-UHFFFAOYSA-N
XLogP-0.38
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine (CID 69354715) is [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine is CN1CCN(S(=O)(=O)CCCN2CCC(CN)CC2)CC1.
What is the InChIKey of [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine?
The InChIKey is KZXMGDQYAMQVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-16-8-10-18(11-9-16)21(19,20)12-2-5-17-6-3-14(13-15)4-7-17/h14H,2-13,15H2,1H3.
What are the key properties of [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine?
[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine has a molecular weight of 318.49 g/mol, XLogP of -0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 69354715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).