(2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine

C13H28N2O2S — CID 98870298

IUPAC(2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine
SMILESC[C@@H]1C[C@H](C)CN(CCN[C@H](C)CS(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O2S/c1-11-7-12(2)9-15(8-11)6-5-14-13(3)10-18(4,16)17/h11-14H,5-10H2,1-4H3/t11-,12+,13-/m1/s1
InChIKeyUHZFKLWWDNCKED-FRRDWIJNSA-N
MW276.45 g/mol
LogP0.99
Rot. Bonds6

About (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine

(2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 98870298) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID98870298
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name(2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine
SMILESC[C@@H]1C[C@H](C)CN(CCN[C@H](C)CS(C)(=O)=O)C1
InChIInChI=1S/C13H28N2O2S/c1-11-7-12(2)9-15(8-11)6-5-14-13(3)10-18(4,16)17/h11-14H,5-10H2,1-4H3/t11-,12+,13-/m1/s1
InChIKeyUHZFKLWWDNCKED-FRRDWIJNSA-N
XLogP0.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine (CID 98870298) is (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine is C[C@@H]1C[C@H](C)CN(CCN[C@H](C)CS(C)(=O)=O)C1.
What is the InChIKey of (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is UHZFKLWWDNCKED-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11-7-12(2)9-15(8-11)6-5-14-13(3)10-18(4,16)17/h11-14H,5-10H2,1-4H3/t11-,12+,13-/m1/s1.
What are the key properties of (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine?
(2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 276.45 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 98870298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).