5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide

C14H24N2O3S2 — CID 106094017

IUPAC5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCOC(C)C2)c(C)s1
InChIInChI=1S/C14H24N2O3S2/c1-4-15-9-13-8-14(11(3)20-13)21(17,18)16-12-5-6-19-10(2)7-12/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyVXFLUSSTOXUDJL-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.01
Rot. Bonds6

About 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide

5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide (PubChem CID 106094017) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
PubChem CID106094017
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC2CCOC(C)C2)c(C)s1
InChIInChI=1S/C14H24N2O3S2/c1-4-15-9-13-8-14(11(3)20-13)21(17,18)16-12-5-6-19-10(2)7-12/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyVXFLUSSTOXUDJL-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106071112
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800
N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106065891
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093867
2-methyl-N-(2-methyloxolan-3-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106076237
methyl 2-[(2-methyloxan-4-yl)sulfamoyl]benzoate
CID 103887621
N-(2-methyloxan-4-yl)ethanesulfonamide
CID 103887605
4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide (CID 106094017) is 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC2CCOC(C)C2)c(C)s1.
What is the InChIKey of 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide?
The InChIKey is VXFLUSSTOXUDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-4-15-9-13-8-14(11(3)20-13)21(17,18)16-12-5-6-19-10(2)7-12/h8,10,12,15-16H,4-7,9H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide?
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106094017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).