(2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine

C9H19NO3S — CID 99626643

IUPAC(2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine
SMILESCOCCS(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C9H19NO3S/c1-9-5-3-4-6-10(9)14(11,12)8-7-13-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHZYGTAXGCBMKQK-VIFPVBQESA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds4

About (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine

(2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine (PubChem CID 99626643) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine
PubChem CID99626643
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name(2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine
SMILESCOCCS(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C9H19NO3S/c1-9-5-3-4-6-10(9)14(11,12)8-7-13-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHZYGTAXGCBMKQK-VIFPVBQESA-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 (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine?
The IUPAC name of (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine (CID 99626643) is (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine.
What is the SMILES notation for (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine?
The canonical SMILES for (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine is COCCS(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine?
The InChIKey is HZYGTAXGCBMKQK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9-5-3-4-6-10(9)14(11,12)8-7-13-2/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine?
(2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine 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 (2S)-1-(2-methoxyethylsulfonyl)-2-methylpiperidine is sourced from PubChem (CID 99626643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).