1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine

C11H23NO2S — CID 97213735

IUPAC1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
SMILESCC(C)C[C@H](C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)9-11(3)15(13,14)12-7-5-4-6-8-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyAXDFCNNPCMQDND-NSHDSACASA-N
MW233.38 g/mol
LogP2.24
Rot. Bonds4

About 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine

1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine (PubChem CID 97213735) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
PubChem CID97213735
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine
SMILESCC(C)C[C@H](C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H23NO2S/c1-10(2)9-11(3)15(13,14)12-7-5-4-6-8-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyAXDFCNNPCMQDND-NSHDSACASA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine?
The IUPAC name of 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine (CID 97213735) is 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine.
What is the SMILES notation for 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine?
The canonical SMILES for 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine is CC(C)C[C@H](C)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine?
The InChIKey is AXDFCNNPCMQDND-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)9-11(3)15(13,14)12-7-5-4-6-8-12/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine?
1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine has a molecular weight of 233.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methylpentan-2-yl]sulfonylpiperidine is sourced from PubChem (CID 97213735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).