(2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium

C2H7NO3PS+ — CID 57080128

IUPAC(2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium
SMILESNC(=O)C[P+](O)(O)S
InChIInChI=1S/C2H6NO3PS/c3-2(4)1-7(5,6)8/h5-6,8H,1H2,(H-,3,4)/p+1
InChIKeyNYZGPKCHGCEPCC-UHFFFAOYSA-O
MW156.12 g/mol
LogP-0.85
Rot. Bonds2

About (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium

(2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium (PubChem CID 57080128) has the molecular formula C2H7NO3PS+ and a molecular weight of 156.12 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium
PubChem CID57080128
Molecular FormulaC2H7NO3PS+
Molecular Weight156.12 g/mol
Exact Mass155.99
IUPAC Name(2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium
SMILESNC(=O)C[P+](O)(O)S
InChIInChI=1S/C2H6NO3PS/c3-2(4)1-7(5,6)8/h5-6,8H,1H2,(H-,3,4)/p+1
InChIKeyNYZGPKCHGCEPCC-UHFFFAOYSA-O
XLogP-0.85
TPSA83.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-sulfanylpentanediamide
CID 87903266
4-amino-2-hydroxy-4-oxobutanethioic S-acid
CID 141334198
3-methylsulfanyl-3-sulfanylpropanamide
CID 123924977
(3S)-4-amino-3-hydroxybutanamide
CID 12536775
(2S,3S)-2,3-dihydroxypentanediamide
CID 131227840
4-hydroxy-3-methylpentanamide
CID 21402958
CID 87646890
CID 87646890
carbamothioic S-acid;hafnium
CID 89401322
bis(carbamothioic S-acid);hydrazine
CID 175156320
azane;carbamothioic S-acid
CID 12743068
3-methylbutanamide
CID 87933309
bis(carbamothioic S-acid);bis(2-methylpropane);propane
CID 173455372

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium?
The IUPAC name of (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium (CID 57080128) is (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium?
The canonical SMILES for (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium is NC(=O)C[P+](O)(O)S.
What is the InChIKey of (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium?
The InChIKey is NYZGPKCHGCEPCC-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6NO3PS/c3-2(4)1-7(5,6)8/h5-6,8H,1H2,(H-,3,4)/p+1.
What are the key properties of (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium?
(2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium has a molecular weight of 156.12 g/mol, XLogP of -0.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-dihydroxy-sulfanylphosphanium is sourced from PubChem (CID 57080128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).