N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline

C14H23NS — CID 115916778

IUPACN-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline
SMILESCc1ccc(NC(C)CSC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11-6-8-13(9-7-11)15-12(2)10-16-14(3,4)5/h6-9,12,15H,10H2,1-5H3
InChIKeyDPRYLMSZJBIJEN-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.33
Rot. Bonds4

About N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline

N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline (PubChem CID 115916778) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline.

Molecular Properties

Compound NameN-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline
PubChem CID115916778
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline
SMILESCc1ccc(NC(C)CSC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11-6-8-13(9-7-11)15-12(2)10-16-14(3,4)5/h6-9,12,15H,10H2,1-5H3
InChIKeyDPRYLMSZJBIJEN-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline?
The IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline (CID 115916778) is N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline.
What is the SMILES notation for N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline?
The canonical SMILES for N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline is Cc1ccc(NC(C)CSC(C)(C)C)cc1.
What is the InChIKey of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline?
The InChIKey is DPRYLMSZJBIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11-6-8-13(9-7-11)15-12(2)10-16-14(3,4)5/h6-9,12,15H,10H2,1-5H3.
What are the key properties of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline?
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline has a molecular weight of 237.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline is sourced from PubChem (CID 115916778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).