(2S)-2-amino-5-sulfanylpentanal

C5H11NOS — CID 123501822

IUPAC(2S)-2-amino-5-sulfanylpentanal
SMILESN[C@H](C=O)CCCS
InChIInChI=1S/C5H11NOS/c6-5(4-7)2-1-3-8/h4-5,8H,1-3,6H2/t5-/m0/s1
InChIKeyGSZUJNBPLALJQQ-YFKPBYRVSA-N
MW133.22 g/mol
LogP0.22
Rot. Bonds4

About (2S)-2-amino-5-sulfanylpentanal

(2S)-2-amino-5-sulfanylpentanal (PubChem CID 123501822) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is (2S)-2-amino-5-sulfanylpentanal.

Molecular Properties

Compound Name(2S)-2-amino-5-sulfanylpentanal
PubChem CID123501822
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name(2S)-2-amino-5-sulfanylpentanal
SMILESN[C@H](C=O)CCCS
InChIInChI=1S/C5H11NOS/c6-5(4-7)2-1-3-8/h4-5,8H,1-3,6H2/t5-/m0/s1
InChIKeyGSZUJNBPLALJQQ-YFKPBYRVSA-N
XLogP0.22
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-sulfanylpentanal?
The IUPAC name of (2S)-2-amino-5-sulfanylpentanal (CID 123501822) is (2S)-2-amino-5-sulfanylpentanal.
What is the SMILES notation for (2S)-2-amino-5-sulfanylpentanal?
The canonical SMILES for (2S)-2-amino-5-sulfanylpentanal is N[C@H](C=O)CCCS.
What is the InChIKey of (2S)-2-amino-5-sulfanylpentanal?
The InChIKey is GSZUJNBPLALJQQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NOS/c6-5(4-7)2-1-3-8/h4-5,8H,1-3,6H2/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-sulfanylpentanal?
(2S)-2-amino-5-sulfanylpentanal has a molecular weight of 133.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-sulfanylpentanal is sourced from PubChem (CID 123501822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).