N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine

C11H24N2O2S2 — CID 79612431

IUPACN-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
SMILESCNC(CSC)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S2/c1-12-11(9-16-2)7-10-5-4-6-13(8-10)17(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyQLEYBDWRTPMXOA-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.00
Rot. Bonds6

About N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine

N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine (PubChem CID 79612431) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
PubChem CID79612431
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC NameN-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
SMILESCNC(CSC)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H24N2O2S2/c1-12-11(9-16-2)7-10-5-4-6-13(8-10)17(3,14)15/h10-12H,4-9H2,1-3H3
InChIKeyQLEYBDWRTPMXOA-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-ethyl-4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166976
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
CID 79609569
1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 79612455
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916
N-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-amine
CID 79610239
3-ethyl-3-methoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 116760948
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166920

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine (CID 79612431) is N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine is CNC(CSC)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
The InChIKey is QLEYBDWRTPMXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-12-11(9-16-2)7-10-5-4-6-13(8-10)17(3,14)15/h10-12H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine?
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine is sourced from PubChem (CID 79612431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).