(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride

C11H23ClN2OS2 — CID 119788294

IUPAC(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1CSCCS1.Cl
InChIInChI=1S/C11H22N2OS2.ClH/c1-8(2)5-10(12)11(14)13-6-9-7-15-3-4-16-9;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H/t9?,10-;/m0./s1
InChIKeySZUBQMCWQDYBQZ-FTCYEJDNSA-N
MW298.91 g/mol
LogP1.75
Rot. Bonds5

About (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride (PubChem CID 119788294) has the molecular formula C11H23ClN2OS2 and a molecular weight of 298.91 g/mol. Its IUPAC name is (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
PubChem CID119788294
Molecular FormulaC11H23ClN2OS2
Molecular Weight298.91 g/mol
Exact Mass298.09
IUPAC Name(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC1CSCCS1.Cl
InChIInChI=1S/C11H22N2OS2.ClH/c1-8(2)5-10(12)11(14)13-6-9-7-15-3-4-16-9;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H/t9?,10-;/m0./s1
InChIKeySZUBQMCWQDYBQZ-FTCYEJDNSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.91
LogP ≤ 51.75
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
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
CID 104866324
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119326352
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
2-(1,4-dithian-2-ylmethylcarbamoyl)-3,3-dimethylbutanoic acid
CID 116537513
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 119957436
(2S)-2-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 66004860
4-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide
CID 115739503

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride (CID 119788294) is (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC1CSCCS1.Cl.
What is the InChIKey of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride?
The InChIKey is SZUBQMCWQDYBQZ-FTCYEJDNSA-N. The full InChI is InChI=1S/C11H22N2OS2.ClH/c1-8(2)5-10(12)11(14)13-6-9-7-15-3-4-16-9;/h8-10H,3-7,12H2,1-2H3,(H,13,14);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride has a molecular weight of 298.91 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119788294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).