4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide

C14H20N2O3S — CID 102704679

IUPAC4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(C)S(=O)(=O)c1ccc(CNCC)cc1OC
InChIInChI=1S/C14H20N2O3S/c1-5-9-16(3)20(17,18)14-8-7-12(11-15-6-2)10-13(14)19-4/h1,7-8,10,15H,6,9,11H2,2-4H3
InChIKeyMMKNBVWSPKRASX-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.06
Rot. Bonds7

About 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide

4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide (PubChem CID 102704679) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
PubChem CID102704679
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCN(C)S(=O)(=O)c1ccc(CNCC)cc1OC
InChIInChI=1S/C14H20N2O3S/c1-5-9-16(3)20(17,18)14-8-7-12(11-15-6-2)10-13(14)19-4/h1,7-8,10,15H,6,9,11H2,2-4H3
InChIKeyMMKNBVWSPKRASX-UHFFFAOYSA-N
XLogP1.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
4-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074924
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
5-(ethylaminomethyl)-2-methoxy-N',N'-dimethylbenzenesulfonohydrazide
CID 106074842
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 60882636
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 102704690
4-(ethylaminomethyl)-2-methoxy-N-(thiolan-3-yl)benzenesulfonamide
CID 106086377

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide (CID 102704679) is 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide is C#CCN(C)S(=O)(=O)c1ccc(CNCC)cc1OC.
What is the InChIKey of 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is MMKNBVWSPKRASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-9-16(3)20(17,18)14-8-7-12(11-15-6-2)10-13(14)19-4/h1,7-8,10,15H,6,9,11H2,2-4H3.
What are the key properties of 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide?
4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 102704679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).