1-methylsulfonyl-4-propan-2-ylpiperidine

C9H19NO2S — CID 20712281

IUPAC1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-8(2)9-4-6-10(7-5-9)13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyORBHKZOWRLMVPI-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.31
Rot. Bonds2

About 1-methylsulfonyl-4-propan-2-ylpiperidine

1-methylsulfonyl-4-propan-2-ylpiperidine (PubChem CID 20712281) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-methylsulfonyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-4-propan-2-ylpiperidine
PubChem CID20712281
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-methylsulfonyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H19NO2S/c1-8(2)9-4-6-10(7-5-9)13(3,11)12/h8-9H,4-7H2,1-3H3
InChIKeyORBHKZOWRLMVPI-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-4-propan-2-ylpiperidine (CID 20712281) is 1-methylsulfonyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-4-propan-2-ylpiperidine is CC(C)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methylsulfonyl-4-propan-2-ylpiperidine?
The InChIKey is ORBHKZOWRLMVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(2)9-4-6-10(7-5-9)13(3,11)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methylsulfonyl-4-propan-2-ylpiperidine?
1-methylsulfonyl-4-propan-2-ylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 20712281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).