N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide

C13H20N4O2S2 — CID 106076401

IUPACN-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C13H20N4O2S2/c1-3-6-14-10-12-13(5-8-20-12)21(18,19)15-9-11-4-7-17(2)16-11/h4-5,7-8,14-15H,3,6,9-10H2,1-2H3
InChIKeyLEDLXVBAAJWALF-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.46
Rot. Bonds8

About N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide

N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106076401) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106076401
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NCc1ccn(C)n1
InChIInChI=1S/C13H20N4O2S2/c1-3-6-14-10-12-13(5-8-20-12)21(18,19)15-9-11-4-7-17(2)16-11/h4-5,7-8,14-15H,3,6,9-10H2,1-2H3
InChIKeyLEDLXVBAAJWALF-UHFFFAOYSA-N
XLogP1.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
N-[2-(2-methylpropoxy)ethyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085314
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
2-ethylsulfonyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78924573
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106076401) is N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is LEDLXVBAAJWALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-3-6-14-10-12-13(5-8-20-12)21(18,19)15-9-11-4-7-17(2)16-11/h4-5,7-8,14-15H,3,6,9-10H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106076401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).