(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid

C11H20N2O4S — CID 122103899

IUPAC(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-8-3-4-12(5-8)18(16,17)13-6-9(2)10(7-13)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)/t8?,9-,10-/m1/s1
InChIKeyRIYHSOLZNWETMT-VXRWAFEHSA-N
MW276.36 g/mol
LogP0.23
Rot. Bonds3

About (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid

(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 122103899) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID122103899
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCC1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)C1
InChIInChI=1S/C11H20N2O4S/c1-8-3-4-12(5-8)18(16,17)13-6-9(2)10(7-13)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)/t8?,9-,10-/m1/s1
InChIKeyRIYHSOLZNWETMT-VXRWAFEHSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid 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

(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-ethylsulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 63719633
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 5071683
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
1-(methoxycarbonylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114462674
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984041
4-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585482
1-[(3S)-4-methyl-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylazetidine-3-carbonitrile
CID 142544966
1-(4-methylpiperidin-1-yl)sulfonylazetidin-3-amine
CID 63765450
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
(3S,4S)-1-(1-ethylsulfonylpiperidine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953583

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 122103899) is (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid is CC1CCN(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)O)C2)C1.
What is the InChIKey of (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is RIYHSOLZNWETMT-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-8-3-4-12(5-8)18(16,17)13-6-9(2)10(7-13)11(14)15/h8-10H,3-7H2,1-2H3,(H,14,15)/t8?,9-,10-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid?
(3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-1-(3-methylpyrrolidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122103899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).