(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide

C9H18N2OS2 — CID 104866324

IUPAC(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC1CSCCS1
InChIInChI=1S/C9H18N2OS2/c1-2-8(10)9(12)11-5-7-6-13-3-4-14-7/h7-8H,2-6,10H2,1H3,(H,11,12)/t7?,8-/m1/s1
InChIKeyUAAXVFCKYJGEKZ-BRFYHDHCSA-N
MW234.39 g/mol
LogP0.69
Rot. Bonds4

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

(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide (PubChem CID 104866324) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
PubChem CID104866324
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide
SMILESCC[C@@H](N)C(=O)NCC1CSCCS1
InChIInChI=1S/C9H18N2OS2/c1-2-8(10)9(12)11-5-7-6-13-3-4-14-7/h7-8H,2-6,10H2,1H3,(H,11,12)/t7?,8-/m1/s1
InChIKeyUAAXVFCKYJGEKZ-BRFYHDHCSA-N
XLogP0.69
TPSA55.12 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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-3-methylpentanamide
CID 103833140
(2S)-2-amino-N-(1,4-dithian-2-ylmethyl)-4-methylpentanamide;hydrochloride
CID 119788294
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)propanamide;hydrochloride
CID 119326363
(2R)-N-(1,4-dithian-2-ylmethyl)-2-hydroxypropanamide
CID 130686027
(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
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-(1H-indol-3-yl)propanamide
CID 119957436
4-amino-N-(1,4-dithian-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 113489277
(2S)-2-amino-N-(thian-3-yl)butanamide
CID 103797750
2-(1,4-dithian-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide (CID 104866324) is (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide is CC[C@@H](N)C(=O)NCC1CSCCS1.
What is the InChIKey of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide?
The InChIKey is UAAXVFCKYJGEKZ-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-2-8(10)9(12)11-5-7-6-13-3-4-14-7/h7-8H,2-6,10H2,1H3,(H,11,12)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide?
(2R)-2-amino-N-(1,4-dithian-2-ylmethyl)butanamide has a molecular weight of 234.39 g/mol, XLogP of 0.69, 4 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)butanamide is sourced from PubChem (CID 104866324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).