(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine

C11H23NO3S — CID 96516255

IUPAC(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCC[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-10(2)15-9-7-11-6-4-5-8-12(11)16(3,13)14/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyNVSQJYIOZHGZAR-NSHDSACASA-N
MW249.38 g/mol
LogP1.62
Rot. Bonds5

About (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine

(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine (PubChem CID 96516255) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
PubChem CID96516255
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine
SMILESCC(C)OCC[C@@H]1CCCCN1S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-10(2)15-9-7-11-6-4-5-8-12(11)16(3,13)14/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyNVSQJYIOZHGZAR-NSHDSACASA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine?
The IUPAC name of (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine (CID 96516255) is (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine.
What is the SMILES notation for (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine?
The canonical SMILES for (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine is CC(C)OCC[C@@H]1CCCCN1S(C)(=O)=O.
What is the InChIKey of (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine?
The InChIKey is NVSQJYIOZHGZAR-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO3S/c1-10(2)15-9-7-11-6-4-5-8-12(11)16(3,13)14/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine?
(2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine has a molecular weight of 249.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylsulfonyl-2-(2-propan-2-yloxyethyl)piperidine is sourced from PubChem (CID 96516255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).