[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

C14H30N4O2S — CID 62993592

IUPAC[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-13(2)16-6-4-14(12-15,5-7-16)17-8-10-18(11-9-17)21(3,19)20/h13H,4-12,15H2,1-3H3
InChIKeyYAPTUTYAODSIOE-UHFFFAOYSA-N
MW318.49 g/mol
LogP-0.23
Rot. Bonds4

About [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine

[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (PubChem CID 62993592) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
PubChem CID62993592
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C14H30N4O2S/c1-13(2)16-6-4-14(12-15,5-7-16)17-8-10-18(11-9-17)21(3,19)20/h13H,4-12,15H2,1-3H3
InChIKeyYAPTUTYAODSIOE-UHFFFAOYSA-N
XLogP-0.23
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine (CID 62993592) is [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is CC(C)N1CCC(CN)(N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
The InChIKey is YAPTUTYAODSIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-13(2)16-6-4-14(12-15,5-7-16)17-8-10-18(11-9-17)21(3,19)20/h13H,4-12,15H2,1-3H3.
What are the key properties of [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine?
[4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine has a molecular weight of 318.49 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylpiperazin-1-yl)-1-propan-2-ylpiperidin-4-yl]methanamine is sourced from PubChem (CID 62993592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).