4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide

C14H25N3O3S — CID 106054924

IUPAC4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC(C)CCN(C)C
InChIInChI=1S/C14H25N3O3S/c1-11(7-8-17(2)3)16-21(18,19)14-6-5-12(10-15)9-13(14)20-4/h5-6,9,11,16H,7-8,10,15H2,1-4H3
InChIKeyVSANXBIHHDGRRO-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.77
Rot. Bonds8

About 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide

4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide (PubChem CID 106054924) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
PubChem CID106054924
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC(C)CCN(C)C
InChIInChI=1S/C14H25N3O3S/c1-11(7-8-17(2)3)16-21(18,19)14-6-5-12(10-15)9-13(14)20-4/h5-6,9,11,16H,7-8,10,15H2,1-4H3
InChIKeyVSANXBIHHDGRRO-UHFFFAOYSA-N
XLogP0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
4-(ethylaminomethyl)-2-methoxy-N-pentan-2-ylbenzenesulfonamide
CID 106046618
3-(aminomethyl)-2,4-dichloro-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 106054870
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methylbenzenesulfonamide
CID 106054898
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
4-(chloromethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704211

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide (CID 106054924) is 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NC(C)CCN(C)C.
What is the InChIKey of 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide?
The InChIKey is VSANXBIHHDGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(7-8-17(2)3)16-21(18,19)14-6-5-12(10-15)9-13(14)20-4/h5-6,9,11,16H,7-8,10,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide?
4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 106054924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).