(2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid

C5H12NOPS2 — CID 155114622

IUPAC(2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid
SMILESCPCN[C@@H](CS)C(=O)S
InChIInChI=1S/C5H12NOPS2/c1-8-3-6-4(2-9)5(7)10/h4,6,8-9H,2-3H2,1H3,(H,7,10)/t4-/m0/s1
InChIKeyCGWPMAWNGAZLDP-BYPYZUCNSA-N
MW197.26 g/mol
LogP0.60
Rot. Bonds5

About (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid

(2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid (PubChem CID 155114622) has the molecular formula C5H12NOPS2 and a molecular weight of 197.26 g/mol. Its IUPAC name is (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid.

Molecular Properties

Compound Name(2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid
PubChem CID155114622
Molecular FormulaC5H12NOPS2
Molecular Weight197.26 g/mol
Exact Mass197.01
IUPAC Name(2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid
SMILESCPCN[C@@H](CS)C(=O)S
InChIInChI=1S/C5H12NOPS2/c1-8-3-6-4(2-9)5(7)10/h4,6,8-9H,2-3H2,1H3,(H,7,10)/t4-/m0/s1
InChIKeyCGWPMAWNGAZLDP-BYPYZUCNSA-N
XLogP0.60
TPSA29.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(propan-2-ylamino)-3-sulfanylpropanethioic S-acid
CID 88817715
2-acetamido-3-sulfanylpropanethioic S-acid
CID 89034608
(2S)-3-sulfanyl-2-(sulfoamino)propanethioic S-acid
CID 172790448
(2R)-2-methyl-N-[(2S)-3-oxo-1-sulfanylbutan-2-yl]-3-sulfanylpropanamide
CID 88891450
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
ethane;N-[(2R)-3-oxo-1-sulfanylbutan-2-yl]acetamide
CID 144564571
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
(2R)-2-(3-methylbut-3-enylamino)-3-sulfanylpropanoic acid
CID 141061512
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
2-methyl-3-sulfanylpropanoyl fluoride
CID 163866917
(2S)-2-(2-methylpropylamino)-3-sulfanylpropanoic acid;hydrochloride
CID 87312397
(2R)-N-ethyl-2-(ethylamino)-3-sulfanylpropanamide;hydrochloride
CID 88724401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid?
The IUPAC name of (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid (CID 155114622) is (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid.
What is the SMILES notation for (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid?
The canonical SMILES for (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid is CPCN[C@@H](CS)C(=O)S.
What is the InChIKey of (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid?
The InChIKey is CGWPMAWNGAZLDP-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12NOPS2/c1-8-3-6-4(2-9)5(7)10/h4,6,8-9H,2-3H2,1H3,(H,7,10)/t4-/m0/s1.
What are the key properties of (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid?
(2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid has a molecular weight of 197.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylphosphanylmethylamino)-3-sulfanylpropanethioic S-acid is sourced from PubChem (CID 155114622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).