N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C13H24N2O2S3 — CID 106080826

IUPACN-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC(C)(C)SC
InChIInChI=1S/C13H24N2O2S3/c1-5-7-14-9-11-12(6-8-19-11)20(16,17)15-10-13(2,3)18-4/h6,8,14-15H,5,7,9-10H2,1-4H3
InChIKeyFRHKYDGBCVMPBG-UHFFFAOYSA-N
MW336.55 g/mol
LogP2.67
Rot. Bonds9

About N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106080826) has the molecular formula C13H24N2O2S3 and a molecular weight of 336.55 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106080826
Molecular FormulaC13H24N2O2S3
Molecular Weight336.55 g/mol
Exact Mass336.10
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCC(C)(C)SC
InChIInChI=1S/C13H24N2O2S3/c1-5-7-14-9-11-12(6-8-19-11)20(16,17)15-10-13(2,3)18-4/h6,8,14-15H,5,7,9-10H2,1-4H3
InChIKeyFRHKYDGBCVMPBG-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
2-(propylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)thiophene-3-sulfonamide
CID 79361702
N-methyl-N-(2-methylsulfanylethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 112667299
N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106076401
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-(5-methyl-1,3-thiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106060935
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106080826) is N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NCC(C)(C)SC.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is FRHKYDGBCVMPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S3/c1-5-7-14-9-11-12(6-8-19-11)20(16,17)15-10-13(2,3)18-4/h6,8,14-15H,5,7,9-10H2,1-4H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 336.55 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106080826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).