N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide

C14H26N2O2S3 — CID 106080923

IUPACN-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCC(C)(C)SC)s1
InChIInChI=1S/C14H26N2O2S3/c1-5-9-15-10-8-12-6-7-13(20-12)21(17,18)16-11-14(2,3)19-4/h6-7,15-16H,5,8-11H2,1-4H3
InChIKeyHAHUBTDZUJCNRL-UHFFFAOYSA-N
MW350.58 g/mol
LogP2.71
Rot. Bonds10

About N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide

N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106080923) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106080923
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
SMILESCCCNCCc1ccc(S(=O)(=O)NCC(C)(C)SC)s1
InChIInChI=1S/C14H26N2O2S3/c1-5-9-15-10-8-12-6-7-13(20-12)21(17,18)16-11-14(2,3)19-4/h6-7,15-16H,5,8-11H2,1-4H3
InChIKeyHAHUBTDZUJCNRL-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 52.71
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-(2,2-dimethylbutyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 103466053
N-(1,2-oxazol-5-ylmethyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106424030
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-(ethylaminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106092326
5-[2-(ethylamino)ethyl]-N-(1-methoxy-2-methylpropan-2-yl)thiophene-2-sulfonamide
CID 106080577
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
5-[2-(ethylamino)ethyl]-N-[(3-methylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106089895
5-[2-(methylamino)ethyl]-N-[(1-methylsulfanylcyclopentyl)methyl]thiophene-2-sulfonamide
CID 106090568
5-[2-(tert-butylsulfonylamino)ethyl]thiophene-2-sulfonyl chloride
CID 63687132
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide (CID 106080923) is N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide is CCCNCCc1ccc(S(=O)(=O)NCC(C)(C)SC)s1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is HAHUBTDZUJCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-5-9-15-10-8-12-6-7-13(20-12)21(17,18)16-11-14(2,3)19-4/h6-7,15-16H,5,8-11H2,1-4H3.
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide?
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 2.71, 10 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)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106080923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).