(2R)-2-amino-3-(tert-butyldisulfanyl)propanal

C7H15NOS2 — CID 24802017

IUPAC(2R)-2-amino-3-(tert-butyldisulfanyl)propanal
SMILESCC(C)(C)SSC[C@H](N)C=O
InChIInChI=1S/C7H15NOS2/c1-7(2,3)11-10-5-6(8)4-9/h4,6H,5,8H2,1-3H3/t6-/m1/s1
InChIKeyXPTIROGVFBUUQP-ZCFIWIBFSA-N
MW193.34 g/mol
LogP1.69
Rot. Bonds4

About (2R)-2-amino-3-(tert-butyldisulfanyl)propanal

(2R)-2-amino-3-(tert-butyldisulfanyl)propanal (PubChem CID 24802017) has the molecular formula C7H15NOS2 and a molecular weight of 193.34 g/mol. Its IUPAC name is (2R)-2-amino-3-(tert-butyldisulfanyl)propanal.

Molecular Properties

Compound Name(2R)-2-amino-3-(tert-butyldisulfanyl)propanal
PubChem CID24802017
Molecular FormulaC7H15NOS2
Molecular Weight193.34 g/mol
Exact Mass193.06
IUPAC Name(2R)-2-amino-3-(tert-butyldisulfanyl)propanal
SMILESCC(C)(C)SSC[C@H](N)C=O
InChIInChI=1S/C7H15NOS2/c1-7(2,3)11-10-5-6(8)4-9/h4,6H,5,8H2,1-3H3/t6-/m1/s1
InChIKeyXPTIROGVFBUUQP-ZCFIWIBFSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(tert-butyldisulfanyl)propanal?
The IUPAC name of (2R)-2-amino-3-(tert-butyldisulfanyl)propanal (CID 24802017) is (2R)-2-amino-3-(tert-butyldisulfanyl)propanal.
What is the SMILES notation for (2R)-2-amino-3-(tert-butyldisulfanyl)propanal?
The canonical SMILES for (2R)-2-amino-3-(tert-butyldisulfanyl)propanal is CC(C)(C)SSC[C@H](N)C=O.
What is the InChIKey of (2R)-2-amino-3-(tert-butyldisulfanyl)propanal?
The InChIKey is XPTIROGVFBUUQP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NOS2/c1-7(2,3)11-10-5-6(8)4-9/h4,6H,5,8H2,1-3H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(tert-butyldisulfanyl)propanal?
(2R)-2-amino-3-(tert-butyldisulfanyl)propanal has a molecular weight of 193.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(tert-butyldisulfanyl)propanal is sourced from PubChem (CID 24802017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).