(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine

C9H20N2O2S — CID 141112665

IUPAC(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)C[C@@H]1CNCC[C@@H]1N
InChIInChI=1S/C9H20N2O2S/c1-7(2)14(12,13)6-8-5-11-4-3-9(8)10/h7-9,11H,3-6,10H2,1-2H3/t8-,9-/m0/s1
InChIKeyGLSOZVHMRKLHRF-IUCAKERBSA-N
MW220.34 g/mol
LogP-0.25
Rot. Bonds3

About (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine

(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine (PubChem CID 141112665) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine
PubChem CID141112665
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine
SMILESCC(C)S(=O)(=O)C[C@@H]1CNCC[C@@H]1N
InChIInChI=1S/C9H20N2O2S/c1-7(2)14(12,13)6-8-5-11-4-3-9(8)10/h7-9,11H,3-6,10H2,1-2H3/t8-,9-/m0/s1
InChIKeyGLSOZVHMRKLHRF-IUCAKERBSA-N
XLogP-0.25
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine?
The IUPAC name of (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine (CID 141112665) is (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine is CC(C)S(=O)(=O)C[C@@H]1CNCC[C@@H]1N.
What is the InChIKey of (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine?
The InChIKey is GLSOZVHMRKLHRF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7(2)14(12,13)6-8-5-11-4-3-9(8)10/h7-9,11H,3-6,10H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine?
(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine has a molecular weight of 220.34 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine is sourced from PubChem (CID 141112665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).