N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide

C7H14N2O2S2 — CID 115734124

IUPACN-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)CCNC(=O)C1CSCN1
InChIInChI=1S/C7H14N2O2S2/c1-13(11)3-2-8-7(10)6-4-12-5-9-6/h6,9H,2-5H2,1H3,(H,8,10)
InChIKeyCKYHXZCVTDKJRX-UHFFFAOYSA-N
MW222.33 g/mol
LogP-0.86
Rot. Bonds4

About N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide

N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 115734124) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID115734124
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC NameN-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCS(=O)CCNC(=O)C1CSCN1
InChIInChI=1S/C7H14N2O2S2/c1-13(11)3-2-8-7(10)6-4-12-5-9-6/h6,9H,2-5H2,1H3,(H,8,10)
InChIKeyCKYHXZCVTDKJRX-UHFFFAOYSA-N
XLogP-0.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-(4-cyclopentylbutyl)-1,3-thiazolidine-4-carboxamide
CID 119327705

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide (CID 115734124) is N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide is CS(=O)CCNC(=O)C1CSCN1.
What is the InChIKey of N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CKYHXZCVTDKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c1-13(11)3-2-8-7(10)6-4-12-5-9-6/h6,9H,2-5H2,1H3,(H,8,10).
What are the key properties of N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide?
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 222.33 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 115734124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).