2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide

C11H18N6O2S2 — CID 106051327

IUPAC2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C11H18N6O2S2/c1-3-5-12-7-9-10(4-6-20-9)21(18,19)15-8(2)11-13-16-17-14-11/h4,6,8,12,15H,3,5,7H2,1-2H3,(H,13,14,16,17)
InChIKeySHCMOCRKKMHGGZ-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.80
Rot. Bonds8

About 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide

2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106051327) has the molecular formula C11H18N6O2S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106051327
Molecular FormulaC11H18N6O2S2
Molecular Weight330.44 g/mol
Exact Mass330.09
IUPAC Name2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC(C)c1nn[nH]n1
InChIInChI=1S/C11H18N6O2S2/c1-3-5-12-7-9-10(4-6-20-9)21(18,19)15-8(2)11-13-16-17-14-11/h4,6,8,12,15H,3,5,7H2,1-2H3,(H,13,14,16,17)
InChIKeySHCMOCRKKMHGGZ-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-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051386
N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084591
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
3-(propylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 114140776
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106082739
2-(propylaminomethyl)-N-pyrimidin-5-ylthiophene-3-sulfonamide
CID 106088593
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
2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050317
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704

Frequently Asked Questions

What is the IUPAC name of 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide (CID 106051327) is 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NC(C)c1nn[nH]n1.
What is the InChIKey of 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is SHCMOCRKKMHGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S2/c1-3-5-12-7-9-10(4-6-20-9)21(18,19)15-8(2)11-13-16-17-14-11/h4,6,8,12,15H,3,5,7H2,1-2H3,(H,13,14,16,17).
What are the key properties of 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide?
2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-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 2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106051327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).