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

C8H16N2O4S2 — CID 61455654

IUPAC3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)N(C)S(=O)(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H16N2O4S2/c1-6(2)9(3)16(13,14)10-5-15-4-7(10)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyIRYNCUMMPYBJMC-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.03
Rot. Bonds4

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

3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61455654) has the molecular formula C8H16N2O4S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61455654
Molecular FormulaC8H16N2O4S2
Molecular Weight268.36 g/mol
Exact Mass268.06
IUPAC Name3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)N(C)S(=O)(=O)N1CSCC1C(=O)O
InChIInChI=1S/C8H16N2O4S2/c1-6(2)9(3)16(13,14)10-5-15-4-7(10)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeyIRYNCUMMPYBJMC-UHFFFAOYSA-N
XLogP0.03
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172894
(4R)-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141627
3-(4-propan-2-ylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 43361529
(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 53211332
4-methoxy-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 54947196
(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28784491
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084
3-[methyl(propan-2-yl)sulfamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779570
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61455654) is 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(C)N(C)S(=O)(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IRYNCUMMPYBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S2/c1-6(2)9(3)16(13,14)10-5-15-4-7(10)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61455654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).