4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide

C11H18N6O2S2 — CID 106051386

IUPAC4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C11H18N6O2S2/c1-3-4-12-6-9-5-10(20-7-9)21(18,19)15-8(2)11-13-16-17-14-11/h5,7-8,12,15H,3-4,6H2,1-2H3,(H,13,14,16,17)
InChIKeyLOUYNMXMDFKMGH-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.80
Rot. Bonds8

About 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide

4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106051386) has the molecular formula C11H18N6O2S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106051386
Molecular FormulaC11H18N6O2S2
Molecular Weight330.44 g/mol
Exact Mass330.09
IUPAC Name4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
SMILESCCCNCc1csc(S(=O)(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C11H18N6O2S2/c1-3-4-12-6-9-5-10(20-7-9)21(18,19)15-8(2)11-13-16-17-14-11/h5,7-8,12,15H,3-4,6H2,1-2H3,(H,13,14,16,17)
InChIKeyLOUYNMXMDFKMGH-UHFFFAOYSA-N
XLogP0.80
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(propan-2-ylamino)methyl]-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051299
2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106051327
N-[1-(dimethylamino)propan-2-yl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106074405
N-(1-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106083905
N-(1-methoxybutan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106068312
3-(propylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 114140776
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-(2-methylsulfanylpropyl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106077840
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
N-[2-(1H-imidazol-2-yl)ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106085215
4-(ethylaminomethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 106004702
N-(2-cyclopropylpropan-2-yl)-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106091189

Frequently Asked Questions

What is the IUPAC name of 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide (CID 106051386) is 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide is CCCNCc1csc(S(=O)(=O)NC(C)c2nn[nH]n2)c1.
What is the InChIKey of 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is LOUYNMXMDFKMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S2/c1-3-4-12-6-9-5-10(20-7-9)21(18,19)15-8(2)11-13-16-17-14-11/h5,7-8,12,15H,3-4,6H2,1-2H3,(H,13,14,16,17).
What are the key properties of 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide?
4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 330.44 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106051386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).