N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide

C14H24N2O4S — CID 154765905

IUPACN-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide
SMILESCOc1cc(CN(C)C)ccc1NS(=O)(=O)CC(C)OC
InChIInChI=1S/C14H24N2O4S/c1-11(19-4)10-21(17,18)15-13-7-6-12(9-16(2)3)8-14(13)20-5/h6-8,11,15H,9-10H2,1-5H3
InChIKeyVVGRZGMNYSQZPE-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.53
Rot. Bonds8

About N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide

N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide (PubChem CID 154765905) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide
PubChem CID154765905
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC NameN-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide
SMILESCOc1cc(CN(C)C)ccc1NS(=O)(=O)CC(C)OC
InChIInChI=1S/C14H24N2O4S/c1-11(19-4)10-21(17,18)15-13-7-6-12(9-16(2)3)8-14(13)20-5/h6-8,11,15H,9-10H2,1-5H3
InChIKeyVVGRZGMNYSQZPE-UHFFFAOYSA-N
XLogP1.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide (CID 154765905) is N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide is COc1cc(CN(C)C)ccc1NS(=O)(=O)CC(C)OC.
What is the InChIKey of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is VVGRZGMNYSQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-11(19-4)10-21(17,18)15-13-7-6-12(9-16(2)3)8-14(13)20-5/h6-8,11,15H,9-10H2,1-5H3.
What are the key properties of N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide?
N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 316.42 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 154765905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).