4-(3-methyloxetan-3-yl)sulfonylpiperidine

C9H17NO3S — CID 177325371

IUPAC4-(3-methyloxetan-3-yl)sulfonylpiperidine
SMILESCC1(S(=O)(=O)C2CCNCC2)COC1
InChIInChI=1S/C9H17NO3S/c1-9(6-13-7-9)14(11,12)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3
InChIKeyIWPFBCOSORELEB-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.06
Rot. Bonds2

About 4-(3-methyloxetan-3-yl)sulfonylpiperidine

4-(3-methyloxetan-3-yl)sulfonylpiperidine (PubChem CID 177325371) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-(3-methyloxetan-3-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-methyloxetan-3-yl)sulfonylpiperidine
PubChem CID177325371
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-(3-methyloxetan-3-yl)sulfonylpiperidine
SMILESCC1(S(=O)(=O)C2CCNCC2)COC1
InChIInChI=1S/C9H17NO3S/c1-9(6-13-7-9)14(11,12)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3
InChIKeyIWPFBCOSORELEB-UHFFFAOYSA-N
XLogP-0.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyloxetan-3-yl)sulfonylpiperidine?
The IUPAC name of 4-(3-methyloxetan-3-yl)sulfonylpiperidine (CID 177325371) is 4-(3-methyloxetan-3-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-methyloxetan-3-yl)sulfonylpiperidine?
The canonical SMILES for 4-(3-methyloxetan-3-yl)sulfonylpiperidine is CC1(S(=O)(=O)C2CCNCC2)COC1.
What is the InChIKey of 4-(3-methyloxetan-3-yl)sulfonylpiperidine?
The InChIKey is IWPFBCOSORELEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-9(6-13-7-9)14(11,12)8-2-4-10-5-3-8/h8,10H,2-7H2,1H3.
What are the key properties of 4-(3-methyloxetan-3-yl)sulfonylpiperidine?
4-(3-methyloxetan-3-yl)sulfonylpiperidine has a molecular weight of 219.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyloxetan-3-yl)sulfonylpiperidine is sourced from PubChem (CID 177325371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).