CID 122387822

C3H6NO2S2 — CID 122387822

IUPAC—
SMILESN[C@@H](CS[S])C(=O)O
InChIInChI=1S/C3H6NO2S2/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyFMTOKBQQJZPAGV-REOHCLBHSA-N
MW152.22 g/mol
LogP0.24
Rot. Bonds3

About CID 122387822

CID 122387822 (PubChem CID 122387822) has the molecular formula C3H6NO2S2 and a molecular weight of 152.22 g/mol.

Molecular Properties

Compound NameCID 122387822
PubChem CID122387822
Molecular FormulaC3H6NO2S2
Molecular Weight152.22 g/mol
Exact Mass151.98
IUPAC Name—
SMILESN[C@@H](CS[S])C(=O)O
InChIInChI=1S/C3H6NO2S2/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyFMTOKBQQJZPAGV-REOHCLBHSA-N
XLogP0.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
(2R)-2-amino-3-(trisulfanyl)propanoic acid
CID 137350062
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005

Frequently Asked Questions

What is the IUPAC name of CID 122387822?
The IUPAC name of CID 122387822 (CID 122387822) is not available.
What is the SMILES notation for CID 122387822?
The canonical SMILES for CID 122387822 is N[C@@H](CS[S])C(=O)O.
What is the InChIKey of CID 122387822?
The InChIKey is FMTOKBQQJZPAGV-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6NO2S2/c4-2(1-8-7)3(5)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1.
What are the key properties of CID 122387822?
CID 122387822 has a molecular weight of 152.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122387822 is sourced from PubChem (CID 122387822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).