4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide

C13H23N3O3S2 — CID 106070574

IUPAC4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCC2CN(C)CCO2)c1
InChIInChI=1S/C13H23N3O3S2/c1-3-14-7-11-6-13(20-10-11)21(17,18)15-8-12-9-16(2)4-5-19-12/h6,10,12,14-15H,3-5,7-9H2,1-2H3
InChIKeyQUJFSVMMVMBIFI-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.47
Rot. Bonds7

About 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide

4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide (PubChem CID 106070574) has the molecular formula C13H23N3O3S2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
PubChem CID106070574
Molecular FormulaC13H23N3O3S2
Molecular Weight333.48 g/mol
Exact Mass333.12
IUPAC Name4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide
SMILESCCNCc1csc(S(=O)(=O)NCC2CN(C)CCO2)c1
InChIInChI=1S/C13H23N3O3S2/c1-3-14-7-11-6-13(20-10-11)21(17,18)15-8-12-9-16(2)4-5-19-12/h6,10,12,14-15H,3-5,7-9H2,1-2H3
InChIKeyQUJFSVMMVMBIFI-UHFFFAOYSA-N
XLogP0.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-3-yl]methyl]ethanamine
CID 114413983
2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
4-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 106070548
3-methyl-5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255451
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
4-(ethylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378210
4-(ethylaminomethyl)-N',N'-dimethylthiophene-2-sulfonohydrazide
CID 106074851
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
2-[(4-methylmorpholin-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133280999

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide (CID 106070574) is 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide is CCNCc1csc(S(=O)(=O)NCC2CN(C)CCO2)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is QUJFSVMMVMBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S2/c1-3-14-7-11-6-13(20-10-11)21(17,18)15-8-12-9-16(2)4-5-19-12/h6,10,12,14-15H,3-5,7-9H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide?
4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 333.48 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[(4-methylmorpholin-2-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106070574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).