(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide

C9H18N2OS2 — CID 119327774

IUPAC(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCSC(C)(C)CNC(=O)[C@H]1CSCN1
InChIInChI=1S/C9H18N2OS2/c1-9(2,13-3)5-10-8(12)7-4-14-6-11-7/h7,11H,4-6H2,1-3H3,(H,10,12)/t7-/m1/s1
InChIKeyMCQBBWWKOVQQBS-SSDOTTSWSA-N
MW234.39 g/mol
LogP0.91
Rot. Bonds4

About (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119327774) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119327774
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCSC(C)(C)CNC(=O)[C@H]1CSCN1
InChIInChI=1S/C9H18N2OS2/c1-9(2,13-3)5-10-8(12)7-4-14-6-11-7/h7,11H,4-6H2,1-3H3,(H,10,12)/t7-/m1/s1
InChIKeyMCQBBWWKOVQQBS-SSDOTTSWSA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide (CID 119327774) is (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide is CSC(C)(C)CNC(=O)[C@H]1CSCN1.
What is the InChIKey of (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MCQBBWWKOVQQBS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-9(2,13-3)5-10-8(12)7-4-14-6-11-7/h7,11H,4-6H2,1-3H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 234.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119327774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).