N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide

C16H28N2O2S — CID 43507085

IUPACN-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)N(C)CC(C)C)c1
InChIInChI=1S/C16H28N2O2S/c1-6-10-17-14(4)15-8-7-9-16(11-15)21(19,20)18(5)12-13(2)3/h7-9,11,13-14,17H,6,10,12H2,1-5H3
InChIKeyHEKNAPHWYMGSGL-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.02
Rot. Bonds8

About N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide

N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide (PubChem CID 43507085) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
PubChem CID43507085
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNC(C)c1cccc(S(=O)(=O)N(C)CC(C)C)c1
InChIInChI=1S/C16H28N2O2S/c1-6-10-17-14(4)15-8-7-9-16(11-15)21(19,20)18(5)12-13(2)3/h7-9,11,13-14,17H,6,10,12H2,1-5H3
InChIKeyHEKNAPHWYMGSGL-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
3-acetyl-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272373
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
CID 43508153
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide (CID 43507085) is N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide is CCCNC(C)c1cccc(S(=O)(=O)N(C)CC(C)C)c1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is HEKNAPHWYMGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-10-17-14(4)15-8-7-9-16(11-15)21(19,20)18(5)12-13(2)3/h7-9,11,13-14,17H,6,10,12H2,1-5H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide?
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43507085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).