N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide

C14H26N2O3S2 — CID 106080424

IUPACN-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1csc(CNCC)c1
InChIInChI=1S/C14H26N2O3S2/c1-3-5-8-19-9-6-7-16-21(17,18)14-10-13(20-12-14)11-15-4-2/h10,12,15-16H,3-9,11H2,1-2H3
InChIKeyMBVASAADOQGAHA-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.34
Rot. Bonds12

About N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide

N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106080424) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
PubChem CID106080424
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC NameN-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
SMILESCCCCOCCCNS(=O)(=O)c1csc(CNCC)c1
InChIInChI=1S/C14H26N2O3S2/c1-3-5-8-19-9-6-7-16-21(17,18)14-10-13(20-12-14)11-15-4-2/h10,12,15-16H,3-9,11H2,1-2H3
InChIKeyMBVASAADOQGAHA-UHFFFAOYSA-N
XLogP2.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.34
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-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017515
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063032
N-[2-(2-methylpropoxy)ethyl]-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106085324
3-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074143
N-(2-butoxyethyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
CID 106017597
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411301
5-[(3-butoxypropylamino)methyl]thiophene-3-carboxamide
CID 115735466
5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699
5-(ethylaminomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiophene-3-sulfonamide
CID 106093591
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide (CID 106080424) is N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide is CCCCOCCCNS(=O)(=O)c1csc(CNCC)c1.
What is the InChIKey of N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is MBVASAADOQGAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-3-5-8-19-9-6-7-16-21(17,18)14-10-13(20-12-14)11-15-4-2/h10,12,15-16H,3-9,11H2,1-2H3.
What are the key properties of N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide?
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106080424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).