(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine

C15H21NO3S — CID 97391960

IUPAC(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO3S/c1-19-15-9-10-16(20(17,18)13-7-8-13)14(15)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t14-,15-/m0/s1
InChIKeyMILVIDAFUDAIDE-GJZGRUSLSA-N
MW295.40 g/mol
LogP1.81
Rot. Bonds5

About (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine

(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine (PubChem CID 97391960) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine
PubChem CID97391960
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO3S/c1-19-15-9-10-16(20(17,18)13-7-8-13)14(15)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t14-,15-/m0/s1
InChIKeyMILVIDAFUDAIDE-GJZGRUSLSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine 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

(2R,3R)-2-benzyl-3-(2-methoxyethoxy)-1-methylsulfonylpyrrolidine
CID 124795214
3-[[(2R,3R)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 124797335
3-[[(2S,3S)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 97470594
3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 124779864
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]pyrimidine
CID 124792317
2-[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-N,N-dimethylacetamide
CID 124811052
3-[[(2S,3R)-3-methoxy-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 97391882
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133140606
[(2S,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470128
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449
(1R)-1-benzyl-2-cyclopropylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 97247505
1-[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]-2-methylsulfonylethanone
CID 124788434

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine?
The IUPAC name of (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine (CID 97391960) is (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine.
What is the SMILES notation for (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine?
The canonical SMILES for (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine is CO[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine?
The InChIKey is MILVIDAFUDAIDE-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-19-15-9-10-16(20(17,18)13-7-8-13)14(15)11-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine?
(2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine has a molecular weight of 295.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-benzyl-1-cyclopropylsulfonyl-3-methoxypyrrolidine is sourced from PubChem (CID 97391960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).