5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide

C14H24N2O3S2 — CID 106094372

IUPAC5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCC2CCCCO2)s1
InChIInChI=1S/C14H24N2O3S2/c1-2-15-11-13-6-7-14(20-13)21(17,18)16-9-8-12-5-3-4-10-19-12/h6-7,12,15-16H,2-5,8-11H2,1H3
InChIKeyVITWFAVLIHFPPA-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.10
Rot. Bonds8

About 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide

5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 106094372) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID106094372
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCCC2CCCCO2)s1
InChIInChI=1S/C14H24N2O3S2/c1-2-15-11-13-6-7-14(20-13)21(17,18)16-9-8-12-5-3-4-10-19-12/h6-7,12,15-16H,2-5,8-11H2,1H3
InChIKeyVITWFAVLIHFPPA-UHFFFAOYSA-N
XLogP2.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362826
5-(aminomethyl)-4-methyl-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide
CID 106094400
N-[2-(oxolan-3-yl)ethyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106092862
5-(ethylaminomethyl)-N-(5-methoxypentyl)thiophene-2-sulfonamide
CID 106092710
5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 106055612
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
1,3-dimethyl-N-[2-(oxan-2-yl)ethyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 154837421
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
5-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092837
N-[(4-chlorophenyl)methyl]-5-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106023200
4-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 61300388

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide (CID 106094372) is 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide is CCNCc1ccc(S(=O)(=O)NCCC2CCCCO2)s1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is VITWFAVLIHFPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-2-15-11-13-6-7-14(20-13)21(17,18)16-9-8-12-5-3-4-10-19-12/h6-7,12,15-16H,2-5,8-11H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide?
5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-(oxan-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106094372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).