N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide

C14H26N2O2S3 — CID 106084591

IUPACN-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC(C)CCSCC
InChIInChI=1S/C14H26N2O2S3/c1-4-8-15-11-13-14(7-10-20-13)21(17,18)16-12(3)6-9-19-5-2/h7,10,12,15-16H,4-6,8-9,11H2,1-3H3
InChIKeyXHEKVCZIHZPZBY-UHFFFAOYSA-N
MW350.58 g/mol
LogP3.06
Rot. Bonds11

About N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide

N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106084591) has the molecular formula C14H26N2O2S3 and a molecular weight of 350.58 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
PubChem CID106084591
Molecular FormulaC14H26N2O2S3
Molecular Weight350.58 g/mol
Exact Mass350.12
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
SMILESCCCNCc1sccc1S(=O)(=O)NC(C)CCSCC
InChIInChI=1S/C14H26N2O2S3/c1-4-8-15-11-13-14(7-10-20-13)21(17,18)16-12(3)6-9-19-5-2/h7,10,12,15-16H,4-6,8-9,11H2,1-3H3
InChIKeyXHEKVCZIHZPZBY-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.58
LogP ≤ 53.06
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

2-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-3-sulfonamide
CID 106051327
N-[2-(dimethylamino)propyl]-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106017177
N-(3-methylpentan-3-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106331888
N-(2-methyl-2-methylsulfanylpropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106080826
N-(2-ethoxypropyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106078715
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
N-(1-ethylsulfanylpropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106083415
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
2-(ethylaminomethyl)-N-(3-methylbutyl)thiophene-3-sulfonamide
CID 106059176
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
N-(4-bromophenyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106061353

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide (CID 106084591) is N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide is CCCNCc1sccc1S(=O)(=O)NC(C)CCSCC.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is XHEKVCZIHZPZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S3/c1-4-8-15-11-13-14(7-10-20-13)21(17,18)16-12(3)6-9-19-5-2/h7,10,12,15-16H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide?
N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 350.58 g/mol, XLogP of 3.06, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106084591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).