(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride

C8H17ClN2OS2 — CID 119326363

IUPAC(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1CSCCS1.Cl
InChIInChI=1S/C8H16N2OS2.ClH/c1-6(9)8(11)10-4-7-5-12-2-3-13-7;/h6-7H,2-5,9H2,1H3,(H,10,11);1H/t6-,7?;/m1./s1
InChIKeyLLXHNXADANLMOS-JVEOKNEYSA-N
MW256.82 g/mol
LogP0.72
Rot. Bonds3

About (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride

(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119326363) has the molecular formula C8H17ClN2OS2 and a molecular weight of 256.82 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
PubChem CID119326363
Molecular FormulaC8H17ClN2OS2
Molecular Weight256.82 g/mol
Exact Mass256.05
IUPAC Name(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCC1CSCCS1.Cl
InChIInChI=1S/C8H16N2OS2.ClH/c1-6(9)8(11)10-4-7-5-12-2-3-13-7;/h6-7H,2-5,9H2,1H3,(H,10,11);1H/t6-,7?;/m1./s1
InChIKeyLLXHNXADANLMOS-JVEOKNEYSA-N
XLogP0.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.82
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride (CID 119326363) is (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NCC1CSCCS1.Cl.
What is the InChIKey of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is LLXHNXADANLMOS-JVEOKNEYSA-N. The full InChI is InChI=1S/C8H16N2OS2.ClH/c1-6(9)8(11)10-4-7-5-12-2-3-13-7;/h6-7H,2-5,9H2,1H3,(H,10,11);1H/t6-,7?;/m1./s1.
What are the key properties of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride?
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 256.82 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119326363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).