(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid

C10H17NO4S2 — CID 61142378

IUPAC(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H17NO4S2/c12-10(13)9-6-16-7-11(9)17(14,15)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)/t9-/m0/s1
InChIKeyZBIKXKAZXDMBFG-VIFPVBQESA-N
MW279.38 g/mol
LogP1.11
Rot. Bonds3

About (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61142378) has the molecular formula C10H17NO4S2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID61142378
Molecular FormulaC10H17NO4S2
Molecular Weight279.38 g/mol
Exact Mass279.06
IUPAC Name(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H17NO4S2/c12-10(13)9-6-16-7-11(9)17(14,15)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)/t9-/m0/s1
InChIKeyZBIKXKAZXDMBFG-VIFPVBQESA-N
XLogP1.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 28784491
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172894
(4R)-3-(trifluoromethylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141627
3-ethylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 24703125
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084
3-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide
CID 99599466
(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
CID 130608836
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699

Frequently Asked Questions

What is the IUPAC name of (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid (CID 61142378) is (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZBIKXKAZXDMBFG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17NO4S2/c12-10(13)9-6-16-7-11(9)17(14,15)8-4-2-1-3-5-8/h8-9H,1-7H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 279.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61142378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).