4-formamido-4-sulfinopentanoic acid

C6H11NO5S — CID 174786411

IUPAC4-formamido-4-sulfinopentanoic acid
SMILESCC(CCC(=O)O)(NC=O)S(=O)O
InChIInChI=1S/C6H11NO5S/c1-6(7-4-8,13(11)12)3-2-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyFAZMICJCRXCERL-UHFFFAOYSA-N
MW209.22 g/mol
LogP-0.46
Rot. Bonds6

About 4-formamido-4-sulfinopentanoic acid

4-formamido-4-sulfinopentanoic acid (PubChem CID 174786411) has the molecular formula C6H11NO5S and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-formamido-4-sulfinopentanoic acid.

Molecular Properties

Compound Name4-formamido-4-sulfinopentanoic acid
PubChem CID174786411
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name4-formamido-4-sulfinopentanoic acid
SMILESCC(CCC(=O)O)(NC=O)S(=O)O
InChIInChI=1S/C6H11NO5S/c1-6(7-4-8,13(11)12)3-2-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)(H,11,12)
InChIKeyFAZMICJCRXCERL-UHFFFAOYSA-N
XLogP-0.46
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-formamido-4-sulfinopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-formyl-5-hydroxy-4-methylpentanoic acid
CID 123307328
4-amino-4-methylpentanoic acid
CID 158438218
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
2,2-diformamidopropanoic acid
CID 87109916
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
4-bromo-4-methyl-6-oxohexanoic acid
CID 175480770
2-formamido-2-methylpentanoic acid
CID 61145661
5-hydroxy-4,4-dimethylhexanoic acid
CID 19354060
6-hydroxy-4,4-dimethyl-5,6-disulfinohexanoic acid
CID 175335034
6-(ethylamino)-4,4-dimethylhexanoic acid
CID 65287382
6-[(2-chlorophenyl)methylamino]-4,4-dimethylhexanoic acid
CID 65287822
4-ethyl-4-formylheptanedioic acid
CID 102446451

Frequently Asked Questions

What is the IUPAC name of 4-formamido-4-sulfinopentanoic acid?
The IUPAC name of 4-formamido-4-sulfinopentanoic acid (CID 174786411) is 4-formamido-4-sulfinopentanoic acid.
What is the SMILES notation for 4-formamido-4-sulfinopentanoic acid?
The canonical SMILES for 4-formamido-4-sulfinopentanoic acid is CC(CCC(=O)O)(NC=O)S(=O)O.
What is the InChIKey of 4-formamido-4-sulfinopentanoic acid?
The InChIKey is FAZMICJCRXCERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5S/c1-6(7-4-8,13(11)12)3-2-5(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 4-formamido-4-sulfinopentanoic acid?
4-formamido-4-sulfinopentanoic acid has a molecular weight of 209.22 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-4-sulfinopentanoic acid is sourced from PubChem (CID 174786411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).