3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide

C12H20N2O3S — CID 61418218

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)CCCN)cc1
InChIInChI=1S/C12H20N2O3S/c1-14(18(15,16)9-3-8-13)10-11-4-6-12(17-2)7-5-11/h4-7H,3,8-10,13H2,1-2H3
InChIKeyFVNMKJJMTNFTLB-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.81
Rot. Bonds7

About 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide

3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 61418218) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID61418218
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)CCCN)cc1
InChIInChI=1S/C12H20N2O3S/c1-14(18(15,16)9-3-8-13)10-11-4-6-12(17-2)7-5-11/h4-7H,3,8-10,13H2,1-2H3
InChIKeyFVNMKJJMTNFTLB-UHFFFAOYSA-N
XLogP0.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61108978
5-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61418235
methyl 4-[[(4-methoxyphenyl)methyl-methylsulfamoyl]methyl]benzoate
CID 46770861
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
3,3,3-trifluoro-N,N-bis[(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 130367394
N,N-bis[(4-methoxyphenyl)methyl]methanesulfonamide
CID 71200548
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
1-[[ethyl(sulfamoyl)amino]methyl]-4-methoxybenzene
CID 112686071
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613
3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
CID 43653893

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide (CID 61418218) is 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide is COc1ccc(CN(C)S(=O)(=O)CCCN)cc1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is FVNMKJJMTNFTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-14(18(15,16)9-3-8-13)10-11-4-6-12(17-2)7-5-11/h4-7H,3,8-10,13H2,1-2H3.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide?
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 61418218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).