4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline

C11H17NOS — CID 115258403

IUPAC4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
SMILESCCSc1ccc(N(C)COC)cc1
InChIInChI=1S/C11H17NOS/c1-4-14-11-7-5-10(6-8-11)12(2)9-13-3/h5-8H,4,9H2,1-3H3
InChIKeyXBNFJQKXBSKNTO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.84
Rot. Bonds5

About 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline

4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline (PubChem CID 115258403) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
PubChem CID115258403
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
SMILESCCSc1ccc(N(C)COC)cc1
InChIInChI=1S/C11H17NOS/c1-4-14-11-7-5-10(6-8-11)12(2)9-13-3/h5-8H,4,9H2,1-3H3
InChIKeyXBNFJQKXBSKNTO-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258729
2-(4-ethylsulfanyl-N-methylanilino)ethanol
CID 115216147
4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260655
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195
N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199941
N-(azetidin-3-ylmethyl)-4-ethylsulfanyl-N-methylaniline
CID 115207424
4-(methoxymethylsulfanyl)-N,N-dimethylaniline
CID 3329561
3-N-(4-ethylsulfanylphenyl)-3-N-methylbenzene-1,3-diamine
CID 117040923
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
(4-ethylsulfanylphenyl)methanamine
CID 12842467
4-ethylsulfanyl-N-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210239

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline?
The IUPAC name of 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline (CID 115258403) is 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline.
What is the SMILES notation for 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline?
The canonical SMILES for 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline is CCSc1ccc(N(C)COC)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline?
The InChIKey is XBNFJQKXBSKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-14-11-7-5-10(6-8-11)12(2)9-13-3/h5-8H,4,9H2,1-3H3.
What are the key properties of 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline?
4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline has a molecular weight of 211.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline is sourced from PubChem (CID 115258403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).