(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O4S2 — CID 28784491

IUPAC(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O4S2/c13-10(14)9-7-17-8-12(9)18(15,16)11-5-3-1-2-4-6-11/h9H,1-8H2,(H,13,14)/t9-/m0/s1
InChIKeyMNJIRPSDIPVBNO-VIFPVBQESA-N
MW294.40 g/mol
LogP0.57
Rot. Bonds3

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

(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 28784491) has the molecular formula C10H18N2O4S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID28784491
Molecular FormulaC10H18N2O4S2
Molecular Weight294.40 g/mol
Exact Mass294.07
IUPAC Name(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O4S2/c13-10(14)9-7-17-8-12(9)18(15,16)11-5-3-1-2-4-6-11/h9H,1-8H2,(H,13,14)/t9-/m0/s1
InChIKeyMNJIRPSDIPVBNO-VIFPVBQESA-N
XLogP0.57
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-pyrrolidin-1-ylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 28784467
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
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-[methyl(propan-2-yl)sulfamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61455654
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
1-(azepan-1-ylsulfonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 104937258
[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
CID 124812682
1-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]piperidine-2-carboxylic acid
CID 60858778

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (CID 28784491) is (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is MNJIRPSDIPVBNO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O4S2/c13-10(14)9-7-17-8-12(9)18(15,16)11-5-3-1-2-4-6-11/h9H,1-8H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.40 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(azepan-1-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 28784491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).