N-(3-sulfamoylpropyl)thiane-2-carboxamide

C9H18N2O3S2 — CID 80596435

IUPACN-(3-sulfamoylpropyl)thiane-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCCCS1
InChIInChI=1S/C9H18N2O3S2/c10-16(13,14)7-3-5-11-9(12)8-4-1-2-6-15-8/h8H,1-7H2,(H,11,12)(H2,10,13,14)
InChIKeyYGTMLFJBZAZUAW-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.07
Rot. Bonds5

About N-(3-sulfamoylpropyl)thiane-2-carboxamide

N-(3-sulfamoylpropyl)thiane-2-carboxamide (PubChem CID 80596435) has the molecular formula C9H18N2O3S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)thiane-2-carboxamide
PubChem CID80596435
Molecular FormulaC9H18N2O3S2
Molecular Weight266.39 g/mol
Exact Mass266.08
IUPAC NameN-(3-sulfamoylpropyl)thiane-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCCCS1
InChIInChI=1S/C9H18N2O3S2/c10-16(13,14)7-3-5-11-9(12)8-4-1-2-6-15-8/h8H,1-7H2,(H,11,12)(H2,10,13,14)
InChIKeyYGTMLFJBZAZUAW-UHFFFAOYSA-N
XLogP0.07
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-sulfamoylpropyl)thiane-2-carboxamide 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

N-(3-hydroxypropyl)thiane-2-carboxamide
CID 80595762
N-butylthiane-2-carboxamide
CID 110848251
N-(4-chlorobutyl)thiane-2-carboxamide
CID 106845450
N-(6-hydroxyhexyl)thiolane-2-carboxamide
CID 103919325
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
CID 80595560
2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 113361074
1,1-dioxo-N-(3-sulfamoylpropyl)thiane-2-carboxamide
CID 104521843
N-[2-(2-hydroxyethoxy)ethyl]thiane-2-carboxamide
CID 80596299
5-(3-sulfamoylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 102688396
3-cyclohexyl-N-(3-sulfamoylpropyl)propanamide
CID 47337120
N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405
3-hydroxy-3-methyl-4-(thiane-2-carbonylamino)butanoic acid
CID 80594769

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)thiane-2-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)thiane-2-carboxamide (CID 80596435) is N-(3-sulfamoylpropyl)thiane-2-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)thiane-2-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)thiane-2-carboxamide is NS(=O)(=O)CCCNC(=O)C1CCCCS1.
What is the InChIKey of N-(3-sulfamoylpropyl)thiane-2-carboxamide?
The InChIKey is YGTMLFJBZAZUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S2/c10-16(13,14)7-3-5-11-9(12)8-4-1-2-6-15-8/h8H,1-7H2,(H,11,12)(H2,10,13,14).
What are the key properties of N-(3-sulfamoylpropyl)thiane-2-carboxamide?
N-(3-sulfamoylpropyl)thiane-2-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)thiane-2-carboxamide is sourced from PubChem (CID 80596435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).