(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C9H17N3O5S2 — CID 106340340

IUPAC(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCS(=O)(=O)NCCCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H17N3O5S2/c1-19(16,17)11-4-2-3-10-9(15)12-6-18-5-7(12)8(13)14/h7,11H,2-6H2,1H3,(H,10,15)(H,13,14)/t7-/m0/s1
InChIKeyBFQKMOYJPMPZQS-ZETCQYMHSA-N
MW311.39 g/mol
LogP-0.91
Rot. Bonds6

About (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 106340340) has the molecular formula C9H17N3O5S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID106340340
Molecular FormulaC9H17N3O5S2
Molecular Weight311.39 g/mol
Exact Mass311.06
IUPAC Name(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCS(=O)(=O)NCCCNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C9H17N3O5S2/c1-19(16,17)11-4-2-3-10-9(15)12-6-18-5-7(12)8(13)14/h7,11H,2-6H2,1H3,(H,10,15)(H,13,14)/t7-/m0/s1
InChIKeyBFQKMOYJPMPZQS-ZETCQYMHSA-N
XLogP-0.91
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
1-[3-(methanesulfonamido)propylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106340351
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
1-[3-(methanesulfonamido)propylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 106340335
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
3-(3-phenoxypropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62379863
(4R)-3-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106431555
3-[2-(triazol-1-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 113413093
1-[3-(methanesulfonamido)propylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 106340278

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 106340340) is (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CS(=O)(=O)NCCCNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BFQKMOYJPMPZQS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O5S2/c1-19(16,17)11-4-2-3-10-9(15)12-6-18-5-7(12)8(13)14/h7,11H,2-6H2,1H3,(H,10,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 106340340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).