CID 22950351

C9H14N3O5S2- — CID 22950351

IUPAC—
SMILES[H]/N=[S-](=O)/C(C)C(=O)NCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H14N3O5S2/c1-5(19(10)17)8(14)11-2-7(13)12-4-18-3-6(12)9(15)16/h5-6,10H,2-4H2,1H3,(H,11,14)(H,15,16)/q-1
InChIKeyOLIZKXGMYGYHMD-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.80
Rot. Bonds5

About CID 22950351

CID 22950351 (PubChem CID 22950351) has the molecular formula C9H14N3O5S2- and a molecular weight of 308.36 g/mol.

Molecular Properties

Compound NameCID 22950351
PubChem CID22950351
Molecular FormulaC9H14N3O5S2-
Molecular Weight308.36 g/mol
Exact Mass308.04
IUPAC Name—
SMILES[H]/N=[S-](=O)/C(C)C(=O)NCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H14N3O5S2/c1-5(19(10)17)8(14)11-2-7(13)12-4-18-3-6(12)9(15)16/h5-6,10H,2-4H2,1H3,(H,11,14)(H,15,16)/q-1
InChIKeyOLIZKXGMYGYHMD-UHFFFAOYSA-N
XLogP-0.80
TPSA127.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 82962457
3-[2-(2-thionitrosooxypropanoylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 58991961
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
(4S)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 59927103
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-[2-[(4-methylbenzoyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359216
3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837991
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615
(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144843
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359457
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022

Frequently Asked Questions

What is the IUPAC name of CID 22950351?
The IUPAC name of CID 22950351 (CID 22950351) is not available.
What is the SMILES notation for CID 22950351?
The canonical SMILES for CID 22950351 is [H]/N=[S-](=O)/C(C)C(=O)NCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of CID 22950351?
The InChIKey is OLIZKXGMYGYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3O5S2/c1-5(19(10)17)8(14)11-2-7(13)12-4-18-3-6(12)9(15)16/h5-6,10H,2-4H2,1H3,(H,11,14)(H,15,16)/q-1.
What are the key properties of CID 22950351?
CID 22950351 has a molecular weight of 308.36 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22950351 is sourced from PubChem (CID 22950351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).