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

C16H36N4O2S — CID 143452819

IUPACethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine
SMILESCC.CCCS(=O)(=O)N1CCC(CN)(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4O2S.C2H6/c1-3-12-21(19,20)18-6-4-14(13-15,5-7-18)17-10-8-16(2)9-11-17;1-2/h3-13,15H2,1-2H3;1-2H3
InChIKeyYSKMIBPTDRONLO-UHFFFAOYSA-N
MW348.56 g/mol
LogP0.79
Rot. Bonds5

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

ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine (PubChem CID 143452819) has the molecular formula C16H36N4O2S and a molecular weight of 348.56 g/mol. Its IUPAC name is ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Nameethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine
PubChem CID143452819
Molecular FormulaC16H36N4O2S
Molecular Weight348.56 g/mol
Exact Mass348.26
IUPAC Nameethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine
SMILESCC.CCCS(=O)(=O)N1CCC(CN)(N2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4O2S.C2H6/c1-3-12-21(19,20)18-6-4-14(13-15,5-7-18)17-10-8-16(2)9-11-17;1-2/h3-13,15H2,1-2H3;1-2H3
InChIKeyYSKMIBPTDRONLO-UHFFFAOYSA-N
XLogP0.79
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
The IUPAC name of ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine (CID 143452819) is ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine is CC.CCCS(=O)(=O)N1CCC(CN)(N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
The InChIKey is YSKMIBPTDRONLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S.C2H6/c1-3-12-21(19,20)18-6-4-14(13-15,5-7-18)17-10-8-16(2)9-11-17;1-2/h3-13,15H2,1-2H3;1-2H3.
What are the key properties of ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine?
ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine has a molecular weight of 348.56 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(4-methylpiperazin-1-yl)-1-propylsulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 143452819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).