N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline

C11H17NS2 — CID 104667745

IUPACN-(2-ethylsulfanylethyl)-2-methylsulfanylaniline
SMILESCCSCCNc1ccccc1SC
InChIInChI=1S/C11H17NS2/c1-3-14-9-8-12-10-6-4-5-7-11(10)13-2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyKLUKFCHGINEFLZ-UHFFFAOYSA-N
MW227.40 g/mol
LogP3.57
Rot. Bonds6

About N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline

N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline (PubChem CID 104667745) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2-methylsulfanylaniline
PubChem CID104667745
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC NameN-(2-ethylsulfanylethyl)-2-methylsulfanylaniline
SMILESCCSCCNc1ccccc1SC
InChIInChI=1S/C11H17NS2/c1-3-14-9-8-12-10-6-4-5-7-11(10)13-2/h4-7,12H,3,8-9H2,1-2H3
InChIKeyKLUKFCHGINEFLZ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-2-methylsulfanylaniline
CID 43683418
N-(3-methoxypropyl)-2-methylsulfanylaniline
CID 103696970
N-ethyl-3-(2-methylsulfanylanilino)propanamide
CID 107644721
N'-(2-methylsulfanylphenyl)ethane-1,2-diamine;oxalic acid
CID 71367834
2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
CID 107644727
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
5-chloro-N-(2-ethylsulfanylethyl)-2-methylaniline
CID 115881982
2-ethylsulfanyl-N-pentylaniline
CID 60935079
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfanylaniline
CID 107644761
N-(3-ethylsulfanylpropyl)-2-methylsulfonylaniline
CID 116503779
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
N-(3-methyl-2-phenylbutyl)-2-methylsulfanylaniline
CID 107875943

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline?
The IUPAC name of N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline (CID 104667745) is N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline is CCSCCNc1ccccc1SC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline?
The InChIKey is KLUKFCHGINEFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-3-14-9-8-12-10-6-4-5-7-11(10)13-2/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline?
N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline has a molecular weight of 227.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2-methylsulfanylaniline is sourced from PubChem (CID 104667745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).