(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C12H22N2OS2 — CID 124683336

IUPAC(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2CSCN2)C1
InChIInChI=1S/C12H22N2OS2/c1-3-17-10-5-4-9(6-10)14(2)12(15)11-7-16-8-13-11/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyOYOGUZYBBVIDAB-HBNTYKKESA-N
MW274.45 g/mol
LogP1.78
Rot. Bonds4

About (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide

(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 124683336) has the molecular formula C12H22N2OS2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID124683336
Molecular FormulaC12H22N2OS2
Molecular Weight274.45 g/mol
Exact Mass274.12
IUPAC Name(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2CSCN2)C1
InChIInChI=1S/C12H22N2OS2/c1-3-17-10-5-4-9(6-10)14(2)12(15)11-7-16-8-13-11/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+/m0/s1
InChIKeyOYOGUZYBBVIDAB-HBNTYKKESA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 124683336) is (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide is CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H]2CSCN2)C1.
What is the InChIKey of (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is OYOGUZYBBVIDAB-HBNTYKKESA-N. The full InChI is InChI=1S/C12H22N2OS2/c1-3-17-10-5-4-9(6-10)14(2)12(15)11-7-16-8-13-11/h9-11,13H,3-8H2,1-2H3/t9-,10+,11+/m0/s1.
What are the key properties of (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 274.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124683336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).