N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide

C14H24N2O3S — CID 47387137

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-9-20(17,18)15-11-14(16(2)3)12-7-6-8-13(10-12)19-4/h6-8,10,14-15H,5,9,11H2,1-4H3
InChIKeyJUCBRLYVNYREPX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.63
Rot. Bonds8

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide (PubChem CID 47387137) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
PubChem CID47387137
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(c1cccc(OC)c1)N(C)C
InChIInChI=1S/C14H24N2O3S/c1-5-9-20(17,18)15-11-14(16(2)3)12-7-6-8-13(10-12)19-4/h6-8,10,14-15H,5,9,11H2,1-4H3
InChIKeyJUCBRLYVNYREPX-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
1-[2-[[butyl(methyl)sulfamoyl]amino]-1-(diethylamino)ethyl]-3-methoxybenzene
CID 55681602
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
CID 94018205
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N-[2-(diethylamino)propyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110620333
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]propane-1-sulfonamide
CID 7497762
2-[2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 94014886
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511967

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide (CID 47387137) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(c1cccc(OC)c1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
The InChIKey is JUCBRLYVNYREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-9-20(17,18)15-11-14(16(2)3)12-7-6-8-13(10-12)19-4/h6-8,10,14-15H,5,9,11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 47387137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).