N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide

C13H25N3O2S2 — CID 106055808

IUPACN-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCCN(C)CC)s1
InChIInChI=1S/C13H25N3O2S2/c1-4-8-14-11-12-6-7-13(19-12)20(17,18)15-9-10-16(3)5-2/h6-7,14-15H,4-5,8-11H2,1-3H3
InChIKeyFMPACYHXXUUKSM-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.48
Rot. Bonds10

About N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide

N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106055808) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106055808
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCCN(C)CC)s1
InChIInChI=1S/C13H25N3O2S2/c1-4-8-14-11-12-6-7-13(19-12)20(17,18)15-9-10-16(3)5-2/h6-7,14-15H,4-5,8-11H2,1-3H3
InChIKeyFMPACYHXXUUKSM-UHFFFAOYSA-N
XLogP1.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.48
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-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
N-(4-bromophenyl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106061369
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055583
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791
N-(3-ethylpentan-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106063275
5-[(cyclopropylamino)methyl]-N-[2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 106035127
5-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-2-sulfonamide
CID 43155677
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106082756
5-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074733

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106055808) is N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NCCN(C)CC)s1.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is FMPACYHXXUUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-4-8-14-11-12-6-7-13(19-12)20(17,18)15-9-10-16(3)5-2/h6-7,14-15H,4-5,8-11H2,1-3H3.
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106055808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).