1-butan-2-ylsulfonylpyrrolidine

C8H17NO2S — CID 89375944

IUPAC1-butan-2-ylsulfonylpyrrolidine
SMILESCCC(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO2S/c1-3-8(2)12(10,11)9-6-4-5-7-9/h8H,3-7H2,1-2H3
InChIKeyKGSRSWMUTVHVPH-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds3

About 1-butan-2-ylsulfonylpyrrolidine

1-butan-2-ylsulfonylpyrrolidine (PubChem CID 89375944) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-butan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-butan-2-ylsulfonylpyrrolidine
PubChem CID89375944
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-butan-2-ylsulfonylpyrrolidine
SMILESCCC(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO2S/c1-3-8(2)12(10,11)9-6-4-5-7-9/h8H,3-7H2,1-2H3
InChIKeyKGSRSWMUTVHVPH-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfonylpyrrolidine?
The IUPAC name of 1-butan-2-ylsulfonylpyrrolidine (CID 89375944) is 1-butan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 1-butan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 1-butan-2-ylsulfonylpyrrolidine is CCC(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-butan-2-ylsulfonylpyrrolidine?
The InChIKey is KGSRSWMUTVHVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-8(2)12(10,11)9-6-4-5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfonylpyrrolidine?
1-butan-2-ylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 89375944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).