3-ethyl-1-propan-2-ylsulfonylpyrrolidine

C9H19NO2S — CID 59266021

IUPAC3-ethyl-1-propan-2-ylsulfonylpyrrolidine
SMILESCCC1CCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-4-9-5-6-10(7-9)13(11,12)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyRDOFRYOJVFRXAM-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.46
Rot. Bonds3

About 3-ethyl-1-propan-2-ylsulfonylpyrrolidine

3-ethyl-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 59266021) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylsulfonylpyrrolidine
PubChem CID59266021
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-ethyl-1-propan-2-ylsulfonylpyrrolidine
SMILESCCC1CCN(S(=O)(=O)C(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-4-9-5-6-10(7-9)13(11,12)8(2)3/h8-9H,4-7H2,1-3H3
InChIKeyRDOFRYOJVFRXAM-UHFFFAOYSA-N
XLogP1.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-propan-2-ylsulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-Cyclopentylethyl)sulfonyl]pyrrolidine
CID 124222729
1-Butylsulfonylpyrrolidine
CID 303063
1-(Cyclohexylmethylsulfonyl)pyrrolidine
CID 62732740
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
(3R,4S)-3-fluoro-4-methyl-1-propan-2-ylsulfonylpyrrolidine
CID 132267611
(3S)-3-ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 144443407
(3S)-3-fluoro-1-(3-methylbutan-2-ylsulfonyl)pyrrolidine
CID 175876212
1-Ethylsulfonyl-4-methylpiperidine
CID 303058
1-Pentylsulfonylpyrrolidine
CID 303120
4-Methyl-1-propylsulfonylpiperidine
CID 303129
1-(Butylsulfonyl)-4-methylpiperidine
CID 303130
N,N-diethyl-3-methylpentane-1-sulfonamide
CID 11356480

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-ethyl-1-propan-2-ylsulfonylpyrrolidine (CID 59266021) is 3-ethyl-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-ethyl-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-ethyl-1-propan-2-ylsulfonylpyrrolidine is CCC1CCN(S(=O)(=O)C(C)C)C1.
What is the InChIKey of 3-ethyl-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is RDOFRYOJVFRXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-9-5-6-10(7-9)13(11,12)8(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-ylsulfonylpyrrolidine?
3-ethyl-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 205.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 59266021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).