(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide

C8H15NO2S2 — CID 130686027

IUPAC(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NCC1CSCCS1
InChIInChI=1S/C8H15NO2S2/c1-6(10)8(11)9-4-7-5-12-2-3-13-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1
InChIKeyUFWORCRUVSGCNA-ULUSZKPHSA-N
MW221.35 g/mol
LogP0.33
Rot. Bonds3

About (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide

(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide (PubChem CID 130686027) has the molecular formula C8H15NO2S2 and a molecular weight of 221.35 g/mol. Its IUPAC name is (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
PubChem CID130686027
Molecular FormulaC8H15NO2S2
Molecular Weight221.35 g/mol
Exact Mass221.05
IUPAC Name(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NCC1CSCCS1
InChIInChI=1S/C8H15NO2S2/c1-6(10)8(11)9-4-7-5-12-2-3-13-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1
InChIKeyUFWORCRUVSGCNA-ULUSZKPHSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
CID 104866324
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
2-(1,4-dithian-2-ylmethylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116537513
2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
CID 120793542
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide
CID 103797022
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide
CID 115739503
2-(1,4-dithian-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976194
4-(1,4-dithian-2-ylmethylamino)-3-methylbut-2-enoic acid
CID 103264360
1-cyclohexyl-3-[[(2R)-1,4-dithian-2-yl]methyl]urea
CID 95975061

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide?
The IUPAC name of (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide (CID 130686027) is (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide is C[C@@H](O)C(=O)NCC1CSCCS1.
What is the InChIKey of (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide?
The InChIKey is UFWORCRUVSGCNA-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H15NO2S2/c1-6(10)8(11)9-4-7-5-12-2-3-13-7/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7?/m1/s1.
What are the key properties of (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide?
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide has a molecular weight of 221.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide is sourced from PubChem (CID 130686027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).