1-(sulfonylmethyl)pyrrolidine

C5H9NO2S — CID 158165133

IUPAC1-(sulfonylmethyl)pyrrolidine
SMILESO=S(=O)=CN1CCCC1
InChIInChI=1S/C5H9NO2S/c7-9(8)5-6-3-1-2-4-6/h5H,1-4H2
InChIKeyFWTBRCROXYFHBT-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.28
Rot. Bonds1

About 1-(sulfonylmethyl)pyrrolidine

1-(sulfonylmethyl)pyrrolidine (PubChem CID 158165133) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 1-(sulfonylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(sulfonylmethyl)pyrrolidine
PubChem CID158165133
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name1-(sulfonylmethyl)pyrrolidine
SMILESO=S(=O)=CN1CCCC1
InChIInChI=1S/C5H9NO2S/c7-9(8)5-6-3-1-2-4-6/h5H,1-4H2
InChIKeyFWTBRCROXYFHBT-UHFFFAOYSA-N
XLogP-0.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-sulfonylethyl)piperidine
CID 151556263
(Z)-1-pyrrolidin-1-ylprop-1-en-2-ol
CID 45085255
3-amino-2-piperidin-1-ylpropanal
CID 131967781
ethane;piperidine-1-carbaldehyde;propane
CID 170585838
bis(1-ethenylpyrrolidine);hydrogen peroxide
CID 90220929
azocan-1-yl hydrogen sulfite
CID 90154174
2-piperidin-1-ylethanesulfinic acid
CID 59286125
1-propylsulfinylpyrrolidine
CID 130963156
1-(2-methylsulfinylethyl)piperidine
CID 66695248
1-[(E)-but-1-en-3-ynyl]pyrrolidine
CID 21122286
1-ethenylpiperidine;hydrazine
CID 159894800
2-pyrrolidin-1-ylpropanedial
CID 130025725

Frequently Asked Questions

What is the IUPAC name of 1-(sulfonylmethyl)pyrrolidine?
The IUPAC name of 1-(sulfonylmethyl)pyrrolidine (CID 158165133) is 1-(sulfonylmethyl)pyrrolidine.
What is the SMILES notation for 1-(sulfonylmethyl)pyrrolidine?
The canonical SMILES for 1-(sulfonylmethyl)pyrrolidine is O=S(=O)=CN1CCCC1.
What is the InChIKey of 1-(sulfonylmethyl)pyrrolidine?
The InChIKey is FWTBRCROXYFHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c7-9(8)5-6-3-1-2-4-6/h5H,1-4H2.
What are the key properties of 1-(sulfonylmethyl)pyrrolidine?
1-(sulfonylmethyl)pyrrolidine has a molecular weight of 147.20 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfonylmethyl)pyrrolidine is sourced from PubChem (CID 158165133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).