(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid

C3H8NO2S2Si- — CID 131739546

IUPAC(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)N([SiH3])[S-]
InChIInChI=1S/C3H8NO2S2Si/c5-3(6)2(1-7)4(8)9/h2,7H,1H2,9H3,(H,5,6)/q-1/t2-/m0/s1
InChIKeyHIFPPHKGOSXNJS-REOHCLBHSA-N
MW182.32 g/mol
LogP-1.59
Rot. Bonds3

About (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid

(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid (PubChem CID 131739546) has the molecular formula C3H8NO2S2Si- and a molecular weight of 182.32 g/mol. Its IUPAC name is (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid
PubChem CID131739546
Molecular FormulaC3H8NO2S2Si-
Molecular Weight182.32 g/mol
Exact Mass181.98
IUPAC Name(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)N([SiH3])[S-]
InChIInChI=1S/C3H8NO2S2Si/c5-3(6)2(1-7)4(8)9/h2,7H,1H2,9H3,(H,5,6)/q-1/t2-/m0/s1
InChIKeyHIFPPHKGOSXNJS-REOHCLBHSA-N
XLogP-1.59
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.32
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[bis(sulfanyl)amino]-3-sulfanylpropanoic acid
CID 87509294
(2R)-2-(dimethylamino)-3-sulfanylpropanoic acid;dihydrochloride
CID 88518958
2-[acetyl(sulfanyl)amino]-3-sulfanylpropanoic acid
CID 175074157
2-[bis(2-aminopropanoyl)amino]-3-sulfanylpropanoic acid
CID 87411816
2-[ethyl(methylamino)amino]-3-sulfanylpropanoic acid
CID 87746607
2-[acetyl(1,2,2-trichloroethenyl)amino]-3-sulfanylpropanoic acid
CID 166761288
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylpropanoic acid
CID 22879372
2-[bis(sulfanylmethyl)amino]butanoic acid
CID 101497957
trisodium;(2S)-2-[bis(carboxymethyl)amino]-3-hydroxypropanoic acid
CID 91979731
2-(N-butylanilino)-3-sulfanylpropanoic acid
CID 57203359
(2R)-2-[benzyl(fluoro)amino]-3-sulfanylpropanoic acid
CID 118384388

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid (CID 131739546) is (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)N([SiH3])[S-].
What is the InChIKey of (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid?
The InChIKey is HIFPPHKGOSXNJS-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8NO2S2Si/c5-3(6)2(1-7)4(8)9/h2,7H,1H2,9H3,(H,5,6)/q-1/t2-/m0/s1.
What are the key properties of (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid?
(2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid has a molecular weight of 182.32 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[silyl(sulfido)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 131739546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).