CID 143768247

C13H22NO2S3 — CID 143768247

IUPAC—
SMILESCC.[CH2]C([CH2])SNC([CH2])c1cc(C)sc1S(C)(=O)=O
InChIInChI=1S/C11H16NO2S3.C2H6/c1-7(2)16-12-9(4)10-6-8(3)15-11(10)17(5,13)14;1-2/h6-7,9,12H,1-2,4H2,3,5H3;1-2H3
InChIKeyBJYTVPFJYQULBK-UHFFFAOYSA-N
MW320.53 g/mol
LogP3.64
Rot. Bonds5

About CID 143768247

CID 143768247 (PubChem CID 143768247) has the molecular formula C13H22NO2S3 and a molecular weight of 320.53 g/mol.

Molecular Properties

Compound NameCID 143768247
PubChem CID143768247
Molecular FormulaC13H22NO2S3
Molecular Weight320.53 g/mol
Exact Mass320.08
IUPAC Name—
SMILESCC.[CH2]C([CH2])SNC([CH2])c1cc(C)sc1S(C)(=O)=O
InChIInChI=1S/C11H16NO2S3.C2H6/c1-7(2)16-12-9(4)10-6-8(3)15-11(10)17(5,13)14;1-2/h6-7,9,12H,1-2,4H2,3,5H3;1-2H3
InChIKeyBJYTVPFJYQULBK-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 4768760
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CID 10107524
N-benzyl-5-methyl-2-thiophenesulfonamide
CID 2241007
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4-ethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
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US10807974, Example 1
CID 130344943

Frequently Asked Questions

What is the IUPAC name of CID 143768247?
The IUPAC name of CID 143768247 (CID 143768247) is not available.
What is the SMILES notation for CID 143768247?
The canonical SMILES for CID 143768247 is CC.[CH2]C([CH2])SNC([CH2])c1cc(C)sc1S(C)(=O)=O.
What is the InChIKey of CID 143768247?
The InChIKey is BJYTVPFJYQULBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO2S3.C2H6/c1-7(2)16-12-9(4)10-6-8(3)15-11(10)17(5,13)14;1-2/h6-7,9,12H,1-2,4H2,3,5H3;1-2H3.
What are the key properties of CID 143768247?
CID 143768247 has a molecular weight of 320.53 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143768247 is sourced from PubChem (CID 143768247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).