1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine

C11H24N2O3S2 — CID 113486455

IUPAC1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(CS(C)=O)NCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O3S2/c1-10(9-17(2)14)12-7-11-5-4-6-13(8-11)18(3,15)16/h10-12H,4-9H2,1-3H3
InChIKeySIJAHHMCCGDGRK-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.01
Rot. Bonds6

About 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine

1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine (PubChem CID 113486455) has the molecular formula C11H24N2O3S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
PubChem CID113486455
Molecular FormulaC11H24N2O3S2
Molecular Weight296.46 g/mol
Exact Mass296.12
IUPAC Name1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine
SMILESCC(CS(C)=O)NCC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O3S2/c1-10(9-17(2)14)12-7-11-5-4-6-13(8-11)18(3,15)16/h10-12H,4-9H2,1-3H3
InChIKeySIJAHHMCCGDGRK-UHFFFAOYSA-N
XLogP0.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 79609766
(2S)-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propanoic acid
CID 83194002
(2S)-3-methyl-2-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79611765
1-chloro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-2-amine
CID 79622216
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
1-(3-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79610680
3-methyl-4-[(1-methylsulfonylpiperidin-3-yl)methylamino]butan-1-ol
CID 79613327
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
7-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]octan-1-amine
CID 107814961

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine (CID 113486455) is 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine is CC(CS(C)=O)NCC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine?
The InChIKey is SIJAHHMCCGDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S2/c1-10(9-17(2)14)12-7-11-5-4-6-13(8-11)18(3,15)16/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine?
1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine has a molecular weight of 296.46 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 113486455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).