N,N,2,5-tetramethyl-4-methylsulfanylaniline

C11H17NS — CID 101099508

IUPACN,N,2,5-tetramethyl-4-methylsulfanylaniline
SMILESCSc1cc(C)c(N(C)C)cc1C
InChIInChI=1S/C11H17NS/c1-8-7-11(13-5)9(2)6-10(8)12(3)4/h6-7H,1-5H3
InChIKeyWIYUSZJUKQIWAZ-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.09
Rot. Bonds2

About N,N,2,5-tetramethyl-4-methylsulfanylaniline

N,N,2,5-tetramethyl-4-methylsulfanylaniline (PubChem CID 101099508) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N,N,2,5-tetramethyl-4-methylsulfanylaniline.

Molecular Properties

Compound NameN,N,2,5-tetramethyl-4-methylsulfanylaniline
PubChem CID101099508
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN,N,2,5-tetramethyl-4-methylsulfanylaniline
SMILESCSc1cc(C)c(N(C)C)cc1C
InChIInChI=1S/C11H17NS/c1-8-7-11(13-5)9(2)6-10(8)12(3)4/h6-7H,1-5H3
InChIKeyWIYUSZJUKQIWAZ-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,5-tetramethyl-4-methylsulfanylaniline?
The IUPAC name of N,N,2,5-tetramethyl-4-methylsulfanylaniline (CID 101099508) is N,N,2,5-tetramethyl-4-methylsulfanylaniline.
What is the SMILES notation for N,N,2,5-tetramethyl-4-methylsulfanylaniline?
The canonical SMILES for N,N,2,5-tetramethyl-4-methylsulfanylaniline is CSc1cc(C)c(N(C)C)cc1C.
What is the InChIKey of N,N,2,5-tetramethyl-4-methylsulfanylaniline?
The InChIKey is WIYUSZJUKQIWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-8-7-11(13-5)9(2)6-10(8)12(3)4/h6-7H,1-5H3.
What are the key properties of N,N,2,5-tetramethyl-4-methylsulfanylaniline?
N,N,2,5-tetramethyl-4-methylsulfanylaniline has a molecular weight of 195.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,5-tetramethyl-4-methylsulfanylaniline is sourced from PubChem (CID 101099508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).