4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine

C12H25NO3S — CID 171359036

IUPAC4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine
SMILESCOC[C@H](C)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25NO3S/c1-10(2)17(14,15)13-7-5-12(6-8-13)11(3)9-16-4/h10-12H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyVNPIMLZGSJBPKV-NSHDSACASA-N
MW263.40 g/mol
LogP1.72
Rot. Bonds5

About 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine

4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine (PubChem CID 171359036) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine
PubChem CID171359036
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine
SMILESCOC[C@H](C)C1CCN(S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25NO3S/c1-10(2)17(14,15)13-7-5-12(6-8-13)11(3)9-16-4/h10-12H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyVNPIMLZGSJBPKV-NSHDSACASA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine?
The IUPAC name of 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine (CID 171359036) is 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine is COC[C@H](C)C1CCN(S(=O)(=O)C(C)C)CC1.
What is the InChIKey of 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine?
The InChIKey is VNPIMLZGSJBPKV-NSHDSACASA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(2)17(14,15)13-7-5-12(6-8-13)11(3)9-16-4/h10-12H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine?
4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine has a molecular weight of 263.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-methoxypropan-2-yl]-1-propan-2-ylsulfonylpiperidine is sourced from PubChem (CID 171359036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).