1-tert-butylsulfonylpyrrolidine

C8H17NO2S — CID 20680789

IUPAC1-tert-butylsulfonylpyrrolidine
SMILESCC(C)(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO2S/c1-8(2,3)12(10,11)9-6-4-5-7-9/h4-7H2,1-3H3
InChIKeyYZXGXSRSCACFQN-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.21
Rot. Bonds1

About 1-tert-butylsulfonylpyrrolidine

1-tert-butylsulfonylpyrrolidine (PubChem CID 20680789) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 1-tert-butylsulfonylpyrrolidine.

Molecular Properties

Compound Name1-tert-butylsulfonylpyrrolidine
PubChem CID20680789
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name1-tert-butylsulfonylpyrrolidine
SMILESCC(C)(C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H17NO2S/c1-8(2,3)12(10,11)9-6-4-5-7-9/h4-7H2,1-3H3
InChIKeyYZXGXSRSCACFQN-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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-tert-butylsulfonylpyrrolidine?
The IUPAC name of 1-tert-butylsulfonylpyrrolidine (CID 20680789) is 1-tert-butylsulfonylpyrrolidine.
What is the SMILES notation for 1-tert-butylsulfonylpyrrolidine?
The canonical SMILES for 1-tert-butylsulfonylpyrrolidine is CC(C)(C)S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-tert-butylsulfonylpyrrolidine?
The InChIKey is YZXGXSRSCACFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,3)12(10,11)9-6-4-5-7-9/h4-7H2,1-3H3.
What are the key properties of 1-tert-butylsulfonylpyrrolidine?
1-tert-butylsulfonylpyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonylpyrrolidine is sourced from PubChem (CID 20680789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).