N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide

C13H15N3O3S2 — CID 166268815

IUPACN-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)Nc2cccc(C#N)c2)CCCS1
InChIInChI=1S/C13H15N3O3S2/c1-13(6-3-7-20-13)12(17)16-21(18,19)15-11-5-2-4-10(8-11)9-14/h2,4-5,8,15H,3,6-7H2,1H3,(H,16,17)
InChIKeyGOBGFCUFUITNIL-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.62
Rot. Bonds4

About N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide

N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide (PubChem CID 166268815) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide
PubChem CID166268815
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NS(=O)(=O)Nc2cccc(C#N)c2)CCCS1
InChIInChI=1S/C13H15N3O3S2/c1-13(6-3-7-20-13)12(17)16-21(18,19)15-11-5-2-4-10(8-11)9-14/h2,4-5,8,15H,3,6-7H2,1H3,(H,16,17)
InChIKeyGOBGFCUFUITNIL-UHFFFAOYSA-N
XLogP1.62
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide (CID 166268815) is N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide is CC1(C(=O)NS(=O)(=O)Nc2cccc(C#N)c2)CCCS1.
What is the InChIKey of N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide?
The InChIKey is GOBGFCUFUITNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-13(6-3-7-20-13)12(17)16-21(18,19)15-11-5-2-4-10(8-11)9-14/h2,4-5,8,15H,3,6-7H2,1H3,(H,16,17).
What are the key properties of N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide?
N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)sulfamoyl]-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 166268815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).