N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline

C15H23NS — CID 63448960

IUPACN-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline
SMILESC=CCSc1ccccc1NCC(CC)CC
InChIInChI=1S/C15H23NS/c1-4-11-17-15-10-8-7-9-14(15)16-12-13(5-2)6-3/h4,7-10,13,16H,1,5-6,11-12H2,2-3H3
InChIKeySONNYUNTWFQARR-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.81
Rot. Bonds8

About N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline

N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline (PubChem CID 63448960) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline
PubChem CID63448960
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline
SMILESC=CCSc1ccccc1NCC(CC)CC
InChIInChI=1S/C15H23NS/c1-4-11-17-15-10-8-7-9-14(15)16-12-13(5-2)6-3/h4,7-10,13,16H,1,5-6,11-12H2,2-3H3
InChIKeySONNYUNTWFQARR-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbutyl)-2-prop-2-enylsulfanylaniline
CID 60927970
N-butan-2-yl-2-prop-2-enylsulfanylaniline
CID 60927744
N-[(2,6-dichlorophenyl)methyl]-2-prop-2-enylsulfanylaniline
CID 63448914
N-(1-phenylbutan-2-yl)-2-prop-2-enylsulfanylaniline
CID 79008915
N-(2-prop-2-enylsulfanylphenyl)formamide
CID 64992563
N-[1-(4-methylphenyl)ethyl]-2-prop-2-enylsulfanylaniline
CID 63448738
N-[1-(4-fluorophenyl)propyl]-2-prop-2-enylsulfanylaniline
CID 63449265
N-(2-ethylbutyl)-2-methylaniline
CID 29290197
2-prop-2-enylsulfanyl-N-(1-pyridin-4-ylethyl)aniline
CID 54862461
2-prop-2-enylsulfanyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409401
2-prop-2-enylsulfanyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63051218
ethyl N-(2-prop-2-enylsulfanylphenyl)carbamate
CID 60661108

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline?
The IUPAC name of N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline (CID 63448960) is N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline.
What is the SMILES notation for N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline?
The canonical SMILES for N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline is C=CCSc1ccccc1NCC(CC)CC.
What is the InChIKey of N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline?
The InChIKey is SONNYUNTWFQARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-4-11-17-15-10-8-7-9-14(15)16-12-13(5-2)6-3/h4,7-10,13,16H,1,5-6,11-12H2,2-3H3.
What are the key properties of N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline?
N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline has a molecular weight of 249.42 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-prop-2-enylsulfanylaniline is sourced from PubChem (CID 63448960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).