4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

C15H26N2O2S2 — CID 63958315

IUPAC4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCC(C)CSC)cc1
InChIInChI=1S/C15H26N2O2S2/c1-5-16-13(3)14-6-8-15(9-7-14)21(18,19)17-10-12(2)11-20-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyBNZHFNVCPJTSSN-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.63
Rot. Bonds9

About 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 63958315) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID63958315
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCC(C)CSC)cc1
InChIInChI=1S/C15H26N2O2S2/c1-5-16-13(3)14-6-8-15(9-7-14)21(18,19)17-10-12(2)11-20-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyBNZHFNVCPJTSSN-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957667
4-acetyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63959176
4-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986126
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63964340
4-(2-aminoethoxy)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064727
4-chloro-3-(ethylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064780
2-[4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenoxy]acetic acid
CID 63964634
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421
3-bromo-4-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63961409

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 63958315) is 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is CCNC(C)c1ccc(S(=O)(=O)NCC(C)CSC)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is BNZHFNVCPJTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-5-16-13(3)14-6-8-15(9-7-14)21(18,19)17-10-12(2)11-20-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 63958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).