N-(dicyclopropylmethyl)-2-ethylsulfanylaniline

C15H21NS — CID 54865167

IUPACN-(dicyclopropylmethyl)-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H21NS/c1-2-17-14-6-4-3-5-13(14)16-15(11-7-8-11)12-9-10-12/h3-6,11-12,15-16H,2,7-10H2,1H3
InChIKeyBSEFUGRIGWOEKW-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.40
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-ethylsulfanylaniline

N-(dicyclopropylmethyl)-2-ethylsulfanylaniline (PubChem CID 54865167) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-ethylsulfanylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-ethylsulfanylaniline
PubChem CID54865167
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(dicyclopropylmethyl)-2-ethylsulfanylaniline
SMILESCCSc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H21NS/c1-2-17-14-6-4-3-5-13(14)16-15(11-7-8-11)12-9-10-12/h3-6,11-12,15-16H,2,7-10H2,1H3
InChIKeyBSEFUGRIGWOEKW-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-ethylsulfanylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-ethylsulfanylaniline (CID 54865167) is N-(dicyclopropylmethyl)-2-ethylsulfanylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-ethylsulfanylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-ethylsulfanylaniline is CCSc1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-ethylsulfanylaniline?
The InChIKey is BSEFUGRIGWOEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-2-17-14-6-4-3-5-13(14)16-15(11-7-8-11)12-9-10-12/h3-6,11-12,15-16H,2,7-10H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-2-ethylsulfanylaniline?
N-(dicyclopropylmethyl)-2-ethylsulfanylaniline has a molecular weight of 247.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-ethylsulfanylaniline is sourced from PubChem (CID 54865167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).