(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid

C12H24N2O4S — CID 72922534

IUPAC(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-8(2)10-6-14(7-11(10)12(15)16)19(17,18)13(5)9(3)4/h8-11H,6-7H2,1-5H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyVTUMFXXATLIDQL-WDEREUQCSA-N
MW292.40 g/mol
LogP0.86
Rot. Bonds5

About (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid

(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 72922534) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID72922534
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)[C@@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C12H24N2O4S/c1-8(2)10-6-14(7-11(10)12(15)16)19(17,18)13(5)9(3)4/h8-11H,6-7H2,1-5H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyVTUMFXXATLIDQL-WDEREUQCSA-N
XLogP0.86
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid (CID 72922534) is (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)[C@@H]1CN(S(=O)(=O)N(C)C(C)C)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is VTUMFXXATLIDQL-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-8(2)10-6-14(7-11(10)12(15)16)19(17,18)13(5)9(3)4/h8-11H,6-7H2,1-5H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 292.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[methyl(propan-2-yl)sulfamoyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 72922534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).