N-tert-butyl-2-methylsulfanylaniline

C11H17NS — CID 121217265

IUPACN-tert-butyl-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)(C)C
InChIInChI=1S/C11H17NS/c1-11(2,3)12-9-7-5-6-8-10(9)13-4/h5-8,12H,1-4H3
InChIKeySYFXDRNPPUSTPE-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.62
Rot. Bonds2

About N-tert-butyl-2-methylsulfanylaniline

N-tert-butyl-2-methylsulfanylaniline (PubChem CID 121217265) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-tert-butyl-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-tert-butyl-2-methylsulfanylaniline
PubChem CID121217265
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-tert-butyl-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)(C)C
InChIInChI=1S/C11H17NS/c1-11(2,3)12-9-7-5-6-8-10(9)13-4/h5-8,12H,1-4H3
InChIKeySYFXDRNPPUSTPE-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylsulfanyl-N-(trifluoromethyl)aniline
CID 71648542
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
2-(tert-butylamino)phenol
CID 70671108
1-N,5-N-ditert-butylnaphthalene-1,5-diamine
CID 58895651
N-methoxy-2-methylsulfanylaniline
CID 142183947
2-methylsulfanyl-N-trimethylsilylaniline
CID 22717583
2-N-tert-butylbenzene-1,2-diamine;hydrochloride
CID 91654382
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline
CID 104667745
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylsulfanylaniline?
The IUPAC name of N-tert-butyl-2-methylsulfanylaniline (CID 121217265) is N-tert-butyl-2-methylsulfanylaniline.
What is the SMILES notation for N-tert-butyl-2-methylsulfanylaniline?
The canonical SMILES for N-tert-butyl-2-methylsulfanylaniline is CSc1ccccc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylsulfanylaniline?
The InChIKey is SYFXDRNPPUSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-11(2,3)12-9-7-5-6-8-10(9)13-4/h5-8,12H,1-4H3.
What are the key properties of N-tert-butyl-2-methylsulfanylaniline?
N-tert-butyl-2-methylsulfanylaniline has a molecular weight of 195.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylsulfanylaniline is sourced from PubChem (CID 121217265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).