N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide

C14H24N2O3S2 — CID 106092862

IUPACN-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCCC2CCOC2)s1
InChIInChI=1S/C14H24N2O3S2/c1-2-7-15-10-13-3-4-14(20-13)21(17,18)16-8-5-12-6-9-19-11-12/h3-4,12,15-16H,2,5-11H2,1H3
InChIKeyUQKDPYLECJLBJO-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.95
Rot. Bonds9

About N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide

N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106092862) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
PubChem CID106092862
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)NCCC2CCOC2)s1
InChIInChI=1S/C14H24N2O3S2/c1-2-7-15-10-13-3-4-14(20-13)21(17,18)16-8-5-12-6-9-19-11-12/h3-4,12,15-16H,2,5-11H2,1H3
InChIKeyUQKDPYLECJLBJO-UHFFFAOYSA-N
XLogP1.95
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.95
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

5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
5-(ethylaminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092829
N-[2-[ethyl(methyl)amino]ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055808
5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094372
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106094791
5-(aminomethyl)-4-methyl-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092930
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196
5-(propylaminomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 106030764
N-[[5-(oxan-4-ylmethoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558843
5-(ethylaminomethyl)-2-methyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092877
5-(methylaminomethyl)-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 106072321

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide (CID 106092862) is N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)NCCC2CCOC2)s1.
What is the InChIKey of N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is UQKDPYLECJLBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-2-7-15-10-13-3-4-14(20-13)21(17,18)16-8-5-12-6-9-19-11-12/h3-4,12,15-16H,2,5-11H2,1H3.
What are the key properties of N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide?
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106092862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).