[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine

C14H30N4O2S — CID 16678772

IUPAC[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine
SMILESCCCS(=O)(=O)N1CCC(CN)(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-3-12-21(19,20)18-6-4-14(13-15,5-7-18)17-10-8-16(2)9-11-17/h3-13,15H2,1-2H3
InChIKeyZHJALVCQQDVJGI-UHFFFAOYSA-N
MW318.49 g/mol
LogP-0.23
Rot. Bonds5

About [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine

[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine (PubChem CID 16678772) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine
PubChem CID16678772
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine
SMILESCCCS(=O)(=O)N1CCC(CN)(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-3-12-21(19,20)18-6-4-14(13-15,5-7-18)17-10-8-16(2)9-11-17/h3-13,15H2,1-2H3
InChIKeyZHJALVCQQDVJGI-UHFFFAOYSA-N
XLogP-0.23
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine (CID 16678772) is [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine is CCCS(=O)(=O)N1CCC(CN)(N2CCN(C)CC2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
The InChIKey is ZHJALVCQQDVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-3-12-21(19,20)18-6-4-14(13-15,5-7-18)17-10-8-16(2)9-11-17/h3-13,15H2,1-2H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine has a molecular weight of 318.49 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 16678772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).