N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine

C14H23FN2O2S — CID 73053535

IUPACN'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2S/c1-16(2)8-9-17(3)10-11-20(18,19)12-13-4-6-14(15)7-5-13/h4-7H,8-12H2,1-3H3
InChIKeyAGKNFFODHJHMKC-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.23
Rot. Bonds8

About N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 73053535) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID73053535
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H23FN2O2S/c1-16(2)8-9-17(3)10-11-20(18,19)12-13-4-6-14(15)7-5-13/h4-7H,8-12H2,1-3H3
InChIKeyAGKNFFODHJHMKC-UHFFFAOYSA-N
XLogP1.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine (CID 73053535) is N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CCS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is AGKNFFODHJHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-16(2)8-9-17(3)10-11-20(18,19)12-13-4-6-14(15)7-5-13/h4-7H,8-12H2,1-3H3.
What are the key properties of N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 302.41 g/mol, XLogP of 1.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-fluorophenyl)methylsulfonyl]ethyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 73053535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).