5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide

C13H22N2O3S2 — CID 106063032

IUPAC5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCOCC2)cs1
InChIInChI=1S/C13H22N2O3S2/c1-2-14-9-12-7-13(10-19-12)20(16,17)15-8-11-3-5-18-6-4-11/h7,10-11,14-15H,2-6,8-9H2,1H3
InChIKeyGOUZLSAWJVOJPF-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.56
Rot. Bonds7

About 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106063032) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
PubChem CID106063032
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC2CCOCC2)cs1
InChIInChI=1S/C13H22N2O3S2/c1-2-14-9-12-7-13(10-19-12)20(16,17)15-8-11-3-5-18-6-4-11/h7,10-11,14-15H,2-6,8-9H2,1H3
InChIKeyGOUZLSAWJVOJPF-UHFFFAOYSA-N
XLogP1.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(thiolan-3-ylmethyl)thiophene-3-sulfonamide
CID 106089167
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(3-butoxypropyl)-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106080424
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
5-(propylaminomethyl)-N-(thian-2-ylmethyl)thiophene-3-sulfonamide
CID 106072161
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124
5-(ethylaminomethyl)-N-(2-ethylcyclohexyl)thiophene-3-sulfonamide
CID 106002911
5-(ethylaminomethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-3-sulfonamide
CID 106090699

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide (CID 106063032) is 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC2CCOCC2)cs1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is GOUZLSAWJVOJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-2-14-9-12-7-13(10-19-12)20(16,17)15-8-11-3-5-18-6-4-11/h7,10-11,14-15H,2-6,8-9H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106063032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).