1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine

C9H19NO3S — CID 79229197

IUPAC1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine
SMILESCC(C)OCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19NO3S/c1-9(2)13-7-8-14(11,12)10-5-3-4-6-10/h9H,3-8H2,1-2H3
InChIKeyPIBGKNKDOUZJHC-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.84
Rot. Bonds5

About 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine

1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine (PubChem CID 79229197) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine
PubChem CID79229197
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine
SMILESCC(C)OCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C9H19NO3S/c1-9(2)13-7-8-14(11,12)10-5-3-4-6-10/h9H,3-8H2,1-2H3
InChIKeyPIBGKNKDOUZJHC-UHFFFAOYSA-N
XLogP0.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine?
The IUPAC name of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine (CID 79229197) is 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine is CC(C)OCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine?
The InChIKey is PIBGKNKDOUZJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2)13-7-8-14(11,12)10-5-3-4-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine?
1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine has a molecular weight of 221.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethylsulfonyl)pyrrolidine is sourced from PubChem (CID 79229197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).