N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine

C10H22N2O2S — CID 127465712

IUPACN-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine
SMILESCCCN(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-7-11(2)10-5-8-12(9-6-10)15(3,13)14/h10H,4-9H2,1-3H3
InChIKeyCJIVMZOCWSNWOT-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds4

About N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine

N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine (PubChem CID 127465712) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine
PubChem CID127465712
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine
SMILESCCCN(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-4-7-11(2)10-5-8-12(9-6-10)15(3,13)14/h10H,4-9H2,1-3H3
InChIKeyCJIVMZOCWSNWOT-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine?
The IUPAC name of N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine (CID 127465712) is N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine is CCCN(C)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine?
The InChIKey is CJIVMZOCWSNWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-7-11(2)10-5-8-12(9-6-10)15(3,13)14/h10H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine?
N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine has a molecular weight of 234.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 127465712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).