N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide

C13H24N2O3S2 — CID 106020076

IUPACN-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(CCNC(C)C)s1
InChIInChI=1S/C13H24N2O3S2/c1-4-18-10-9-15-20(16,17)13-6-5-12(19-13)7-8-14-11(2)3/h5-6,11,14-15H,4,7-10H2,1-3H3
InChIKeyJYIXRQQXJMEFQD-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.60
Rot. Bonds10

About N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide

N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 106020076) has the molecular formula C13H24N2O3S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
PubChem CID106020076
Molecular FormulaC13H24N2O3S2
Molecular Weight320.48 g/mol
Exact Mass320.12
IUPAC NameN-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
SMILESCCOCCNS(=O)(=O)c1ccc(CCNC(C)C)s1
InChIInChI=1S/C13H24N2O3S2/c1-4-18-10-9-15-20(16,17)13-6-5-12(19-13)7-8-14-11(2)3/h5-6,11,14-15H,4,7-10H2,1-3H3
InChIKeyJYIXRQQXJMEFQD-UHFFFAOYSA-N
XLogP1.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.60
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-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 106072041
5-[2-(propan-2-ylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013449
N-(2-ethoxypropyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106078895
N-[2-(4-ethoxyphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 30366253
N-(2-ethoxyethyl)thiophene-2-sulfonamide
CID 3855268
5-(aminomethyl)-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 43155671
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
CID 114414151
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide (CID 106020076) is N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide is CCOCCNS(=O)(=O)c1ccc(CCNC(C)C)s1.
What is the InChIKey of N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is JYIXRQQXJMEFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S2/c1-4-18-10-9-15-20(16,17)13-6-5-12(19-13)7-8-14-11(2)3/h5-6,11,14-15H,4,7-10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide?
N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 320.48 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106020076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).