(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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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119342642
(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide
CID 120936821
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
N-(3-ethylsulfanylcyclopentyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119817015
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472
N-ethyl-N-hydroxy-1,3-thiazolidine-4-carboxamide
CID 131080910
2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 61161099
N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 43579611
7-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylheptanamide
CID 119816970
N-(3-ethylsulfanylcyclopentyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 119817000
N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[(1S,3R)-3-ethylsulfanylcyclopentyl]-1-methylurea
CID 97223648

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).