(3R)-1-methylsulfonyl-3-propoxypiperidine

C9H19NO3S — CID 155237902

IUPAC(3R)-1-methylsulfonyl-3-propoxypiperidine
SMILESCCCO[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-3-7-13-9-5-4-6-10(8-9)14(2,11)12/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyJVRLCOMZDBMYKT-SECBINFHSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds4

About (3R)-1-methylsulfonyl-3-propoxypiperidine

(3R)-1-methylsulfonyl-3-propoxypiperidine (PubChem CID 155237902) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-3-propoxypiperidine.

Molecular Properties

Compound Name(3R)-1-methylsulfonyl-3-propoxypiperidine
PubChem CID155237902
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(3R)-1-methylsulfonyl-3-propoxypiperidine
SMILESCCCO[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H19NO3S/c1-3-7-13-9-5-4-6-10(8-9)14(2,11)12/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyJVRLCOMZDBMYKT-SECBINFHSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-3-propoxypiperidine?
The IUPAC name of (3R)-1-methylsulfonyl-3-propoxypiperidine (CID 155237902) is (3R)-1-methylsulfonyl-3-propoxypiperidine.
What is the SMILES notation for (3R)-1-methylsulfonyl-3-propoxypiperidine?
The canonical SMILES for (3R)-1-methylsulfonyl-3-propoxypiperidine is CCCO[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of (3R)-1-methylsulfonyl-3-propoxypiperidine?
The InChIKey is JVRLCOMZDBMYKT-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-7-13-9-5-4-6-10(8-9)14(2,11)12/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-methylsulfonyl-3-propoxypiperidine?
(3R)-1-methylsulfonyl-3-propoxypiperidine has a molecular weight of 221.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonyl-3-propoxypiperidine is sourced from PubChem (CID 155237902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).