N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide

C13H15NO3S3 — CID 71804667

IUPACN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)C1CC1
InChIInChI=1S/C13H15NO3S3/c15-13(11-2-1-7-18-11)12-6-3-9(19-12)8-14-20(16,17)10-4-5-10/h1-3,6-7,10,13-15H,4-5,8H2
InChIKeyRIXLSPVMDQCKCR-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.47
Rot. Bonds6

About N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide

N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide (PubChem CID 71804667) has the molecular formula C13H15NO3S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide
PubChem CID71804667
Molecular FormulaC13H15NO3S3
Molecular Weight329.47 g/mol
Exact Mass329.02
IUPAC NameN-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1ccc(C(O)c2cccs2)s1)C1CC1
InChIInChI=1S/C13H15NO3S3/c15-13(11-2-1-7-18-11)12-6-3-9(19-12)8-14-20(16,17)10-4-5-10/h1-3,6-7,10,13-15H,4-5,8H2
InChIKeyRIXLSPVMDQCKCR-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide (CID 71804667) is N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide is O=S(=O)(NCc1ccc(C(O)c2cccs2)s1)C1CC1.
What is the InChIKey of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide?
The InChIKey is RIXLSPVMDQCKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S3/c15-13(11-2-1-7-18-11)12-6-3-9(19-12)8-14-20(16,17)10-4-5-10/h1-3,6-7,10,13-15H,4-5,8H2.
What are the key properties of N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide?
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 71804667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).