N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide

C14H24N2O2S2 — CID 23346518

IUPACN-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCSCCN)c(C)c1
InChIInChI=1S/C14H24N2O2S2/c1-11-9-12(2)14(13(3)10-11)20(17,18)16(4)6-8-19-7-5-15/h9-10H,5-8,15H2,1-4H3
InChIKeyFCEDUZSZDSKMJT-UHFFFAOYSA-N
MW316.49 g/mol
LogP1.92
Rot. Bonds7

About N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide

N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide (PubChem CID 23346518) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide
PubChem CID23346518
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CCSCCN)c(C)c1
InChIInChI=1S/C14H24N2O2S2/c1-11-9-12(2)14(13(3)10-11)20(17,18)16(4)6-8-19-7-5-15/h9-10H,5-8,15H2,1-4H3
InChIKeyFCEDUZSZDSKMJT-UHFFFAOYSA-N
XLogP1.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 39385586
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 7439655
N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779
3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanethioamide
CID 107327646
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N,2,6-trimethylbenzenesulfonamide
CID 107328017
N,2,4,6-tetramethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604918
carbon dioxide;N-(2-ethylsulfanylethyl)-4-methoxy-N,2,6-trimethylbenzenesulfonamide;2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethylsulfanylmethyl formate
CID 160940446
N-(2-aminoethyl)-2,5-dichloro-N,3,6-trimethylbenzenesulfonamide
CID 55104182
3-amino-N,2,6-trimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656524
4-hydrazinyl-N,2,6-trimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 107327900
4-(ethylamino)-N,2,6-trimethyl-N-propylbenzenesulfonamide
CID 107328647
N,2,4,6-tetramethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110733201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide (CID 23346518) is N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)CCSCCN)c(C)c1.
What is the InChIKey of N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide?
The InChIKey is FCEDUZSZDSKMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-11-9-12(2)14(13(3)10-11)20(17,18)16(4)6-8-19-7-5-15/h9-10H,5-8,15H2,1-4H3.
What are the key properties of N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide?
N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylsulfanyl)ethyl]-N,2,4,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 23346518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).