2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid

C3H7NO2S3 — CID 87509294

IUPAC2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(O)C(CS)N(S)S
InChIInChI=1S/C3H7NO2S3/c5-3(6)2(1-7)4(8)9/h2,7-9H,1H2,(H,5,6)
InChIKeyGWXLCBWSZWZPPT-UHFFFAOYSA-N
MW185.29 g/mol
LogP0.36
Rot. Bonds3

About 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid

2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid (PubChem CID 87509294) has the molecular formula C3H7NO2S3 and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid
PubChem CID87509294
Molecular FormulaC3H7NO2S3
Molecular Weight185.29 g/mol
Exact Mass184.96
IUPAC Name2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(O)C(CS)N(S)S
InChIInChI=1S/C3H7NO2S3/c5-3(6)2(1-7)4(8)9/h2,7-9H,1H2,(H,5,6)
InChIKeyGWXLCBWSZWZPPT-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(sulfanyl)amino]-3-sulfanylpropanoic acid
CID 175074157
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid
CID 131739546
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
2-[bis(2-aminopropanoyl)amino]-3-sulfanylpropanoic acid
CID 87411816
2-[ethyl(methylamino)amino]-3-sulfanylpropanoic acid
CID 87746607
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
2-[acetyl(1,2,2-trichloroethenyl)amino]-3-sulfanylpropanoic acid
CID 166761288
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060

Frequently Asked Questions

What is the IUPAC name of 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid (CID 87509294) is 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid is O=C(O)C(CS)N(S)S.
What is the InChIKey of 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid?
The InChIKey is GWXLCBWSZWZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2S3/c5-3(6)2(1-7)4(8)9/h2,7-9H,1H2,(H,5,6).
What are the key properties of 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid?
2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid has a molecular weight of 185.29 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 87509294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).