3-(2-propylsulfonylethoxy)pyrrolidine

C9H19NO3S — CID 106726895

IUPAC3-(2-propylsulfonylethoxy)pyrrolidine
SMILESCCCS(=O)(=O)CCOC1CCNC1
InChIInChI=1S/C9H19NO3S/c1-2-6-14(11,12)7-5-13-9-3-4-10-8-9/h9-10H,2-8H2,1H3
InChIKeyKHEGPPRAQGZJJZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.19
Rot. Bonds6

About 3-(2-propylsulfonylethoxy)pyrrolidine

3-(2-propylsulfonylethoxy)pyrrolidine (PubChem CID 106726895) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(2-propylsulfonylethoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2-propylsulfonylethoxy)pyrrolidine
PubChem CID106726895
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name3-(2-propylsulfonylethoxy)pyrrolidine
SMILESCCCS(=O)(=O)CCOC1CCNC1
InChIInChI=1S/C9H19NO3S/c1-2-6-14(11,12)7-5-13-9-3-4-10-8-9/h9-10H,2-8H2,1H3
InChIKeyKHEGPPRAQGZJJZ-UHFFFAOYSA-N
XLogP0.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-propoxypyrrolidine;hydrochloride
CID 138393556
(3R)-3-(2-propoxyethoxy)pyrrolidine
CID 86322695
3-ethoxypyrrolidine
CID 21333172
(3S)-3-ethoxypyrrolidine
CID 11116030
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
ethane;3-ethoxypyrrolidine
CID 142624915
methyl 4-(2-propylsulfonylethoxy)cyclohexane-1-carboxylate
CID 106721827
(3R)-3-(2-cyclopropylethoxy)pyrrolidine
CID 97000060
(3R)-3-(4-methylpentoxy)pyrrolidine
CID 115460364
(3R)-3-(3,3,3-trifluoropropoxy)pyrrolidine
CID 82955468
(3S)-3-(2-cyclobutylethoxy)pyrrolidine
CID 106201873
6-[(3R)-pyrrolidin-3-yl]oxyhexan-1-amine
CID 146427989

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylsulfonylethoxy)pyrrolidine?
The IUPAC name of 3-(2-propylsulfonylethoxy)pyrrolidine (CID 106726895) is 3-(2-propylsulfonylethoxy)pyrrolidine.
What is the SMILES notation for 3-(2-propylsulfonylethoxy)pyrrolidine?
The canonical SMILES for 3-(2-propylsulfonylethoxy)pyrrolidine is CCCS(=O)(=O)CCOC1CCNC1.
What is the InChIKey of 3-(2-propylsulfonylethoxy)pyrrolidine?
The InChIKey is KHEGPPRAQGZJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-2-6-14(11,12)7-5-13-9-3-4-10-8-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(2-propylsulfonylethoxy)pyrrolidine?
3-(2-propylsulfonylethoxy)pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylsulfonylethoxy)pyrrolidine is sourced from PubChem (CID 106726895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).