N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide

C14H24N2O2S2 — CID 71688900

IUPACN-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H24N2O2S2/c1-4-16(5-2)10-9-15-20(17,18)14-8-6-7-13(11-14)12-19-3/h6-8,11,15H,4-5,9-10,12H2,1-3H3
InChIKeyAIIRMUSLMGNRPW-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.17
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide

N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide (PubChem CID 71688900) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide
PubChem CID71688900
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1cccc(CSC)c1
InChIInChI=1S/C14H24N2O2S2/c1-4-16(5-2)10-9-15-20(17,18)14-8-6-7-13(11-14)12-19-3/h6-8,11,15H,4-5,9-10,12H2,1-3H3
InChIKeyAIIRMUSLMGNRPW-UHFFFAOYSA-N
XLogP2.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide (CID 71688900) is N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1cccc(CSC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide?
The InChIKey is AIIRMUSLMGNRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-16(5-2)10-9-15-20(17,18)14-8-6-7-13(11-14)12-19-3/h6-8,11,15H,4-5,9-10,12H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide?
N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(methylsulfanylmethyl)benzenesulfonamide is sourced from PubChem (CID 71688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).