[1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine

C13H28N4O2S — CID 69397109

IUPAC[1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCS(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H28N4O2S/c14-12-13-2-7-16(8-3-13)6-1-11-20(18,19)17-9-4-15-5-10-17/h13,15H,1-12,14H2
InChIKeyNEDOFYNCULHCNI-UHFFFAOYSA-N
MW304.46 g/mol
LogP-0.72
Rot. Bonds6

About [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine

[1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine (PubChem CID 69397109) has the molecular formula C13H28N4O2S and a molecular weight of 304.46 g/mol. Its IUPAC name is [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine
PubChem CID69397109
Molecular FormulaC13H28N4O2S
Molecular Weight304.46 g/mol
Exact Mass304.19
IUPAC Name[1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCS(=O)(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H28N4O2S/c14-12-13-2-7-16(8-3-13)6-1-11-20(18,19)17-9-4-15-5-10-17/h13,15H,1-12,14H2
InChIKeyNEDOFYNCULHCNI-UHFFFAOYSA-N
XLogP-0.72
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine (CID 69397109) is [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine is NCC1CCN(CCCS(=O)(=O)N2CCNCC2)CC1.
What is the InChIKey of [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine?
The InChIKey is NEDOFYNCULHCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2S/c14-12-13-2-7-16(8-3-13)6-1-11-20(18,19)17-9-4-15-5-10-17/h13,15H,1-12,14H2.
What are the key properties of [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine?
[1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-piperazin-1-ylsulfonylpropyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 69397109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).