(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid

C8H13NO4S — CID 170338191

IUPAC(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CN(CC2CC2)S(=O)(=O)C1
InChIInChI=1S/C8H13NO4S/c10-8(11)7-4-9(3-6-1-2-6)14(12,13)5-7/h6-7H,1-5H2,(H,10,11)/t7-/m1/s1
InChIKeyHQTJFLDLYOEHBZ-SSDOTTSWSA-N
MW219.26 g/mol
LogP-0.26
Rot. Bonds3

About (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid

(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid (PubChem CID 170338191) has the molecular formula C8H13NO4S and a molecular weight of 219.26 g/mol. Its IUPAC name is (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid
PubChem CID170338191
Molecular FormulaC8H13NO4S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CN(CC2CC2)S(=O)(=O)C1
InChIInChI=1S/C8H13NO4S/c10-8(11)7-4-9(3-6-1-2-6)14(12,13)5-7/h6-7H,1-5H2,(H,10,11)/t7-/m1/s1
InChIKeyHQTJFLDLYOEHBZ-SSDOTTSWSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Pyrrolidine-1-sulfonyl)butanoic acid
CID 28513434
2-[(1,1-Dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 103773365
1-(3-Fluoropropylsulfonyl)pyrrolidine-3-carboxylic acid
CID 120082977
1-Cyclopropylsulfonylpyrrolidine-3-carboxylic acid
CID 21076142
1-Butylsulfonylpyrrolidine-3-carboxylic acid
CID 22322752
2-Methyl-2-pyrrolidin-1-ylsulfonylpropanoic acid
CID 59634214
1-Propan-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 63032886
1-(3-Methylbutylsulfonyl)pyrrolidine-3-carboxylic acid
CID 63856591
3-Pyrrolidin-1-yl-2-sulfopropanoic acid
CID 88822856
(3R)-1-propan-2-ylsulfonylpyrrolidine-3-carboxylic acid
CID 94917925
1-Butylsulfonylpyrrolidine-3-carboxylic acid;ethane
CID 169177304
(3R)-1-cyclopropylsulfonylpyrrolidine-3-carboxylic acid
CID 170071820

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid (CID 170338191) is (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CN(CC2CC2)S(=O)(=O)C1.
What is the InChIKey of (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid?
The InChIKey is HQTJFLDLYOEHBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13NO4S/c10-8(11)7-4-9(3-6-1-2-6)14(12,13)5-7/h6-7H,1-5H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid?
(4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(cyclopropylmethyl)-1,1-dioxo-1,2-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 170338191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).