methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate

C9H17NO4S — CID 97301316

IUPACmethyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)C[C@@H]1CCCN1
InChIInChI=1S/C9H17NO4S/c1-14-9(11)4-6-15(12,13)7-8-3-2-5-10-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyUTSHBIMOHMODCX-QMMMGPOBSA-N
MW235.30 g/mol
LogP-0.28
Rot. Bonds5

About methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate

methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate (PubChem CID 97301316) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
PubChem CID97301316
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)C[C@@H]1CCCN1
InChIInChI=1S/C9H17NO4S/c1-14-9(11)4-6-15(12,13)7-8-3-2-5-10-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyUTSHBIMOHMODCX-QMMMGPOBSA-N
XLogP-0.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate 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

methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
CID 72716377
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
methyl 3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106609888
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
methyl 4-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]butanoate
CID 106607587
methyl 4-piperidin-2-ylbutanoate;hydrochloride
CID 66772062
methyl 4-(piperidin-3-ylmethylsulfonyl)butanoate
CID 82182142
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 2-(azocan-2-yl)acetate
CID 86040521
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate?
The IUPAC name of methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate (CID 97301316) is methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate.
What is the SMILES notation for methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate?
The canonical SMILES for methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate is COC(=O)CCS(=O)(=O)C[C@@H]1CCCN1.
What is the InChIKey of methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate?
The InChIKey is UTSHBIMOHMODCX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-9(11)4-6-15(12,13)7-8-3-2-5-10-8/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate?
methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate has a molecular weight of 235.30 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]propanoate is sourced from PubChem (CID 97301316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).