4-(methoxymethylsulfanyl)-N,N-dimethylaniline

C10H15NOS — CID 3329561

IUPAC4-(methoxymethylsulfanyl)-N,N-dimethylaniline
SMILESCOCSc1ccc(N(C)C)cc1
InChIInChI=1S/C10H15NOS/c1-11(2)9-4-6-10(7-5-9)13-8-12-3/h4-7H,8H2,1-3H3
InChIKeyBEJQZMXHPMXCPS-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.45
Rot. Bonds4

About 4-(methoxymethylsulfanyl)-N,N-dimethylaniline

4-(methoxymethylsulfanyl)-N,N-dimethylaniline (PubChem CID 3329561) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(methoxymethylsulfanyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(methoxymethylsulfanyl)-N,N-dimethylaniline
PubChem CID3329561
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-(methoxymethylsulfanyl)-N,N-dimethylaniline
SMILESCOCSc1ccc(N(C)C)cc1
InChIInChI=1S/C10H15NOS/c1-11(2)9-4-6-10(7-5-9)13-8-12-3/h4-7H,8H2,1-3H3
InChIKeyBEJQZMXHPMXCPS-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.45
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

[4-(methoxymethylsulfanyl)phenyl]methanol
CID 21036167
4-(methoxymethylsulfanyl)pyridine
CID 127008965
4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
CID 115258403
2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone
CID 15043870
4-ethoxy-N,N-dimethylaniline
CID 3624890
2-[4-(methoxymethylsulfanyl)phenyl]butanoic acid
CID 69059196
1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 62534120
1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258729
2-[4-(dimethylamino)phenyl]sulfanylethyl N-tert-butylcarbamate
CID 138489680
2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 26570911
2-[4-(dimethylamino)phenyl]-3-methoxypropanoic acid
CID 58915416
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylsulfanyl)-N,N-dimethylaniline?
The IUPAC name of 4-(methoxymethylsulfanyl)-N,N-dimethylaniline (CID 3329561) is 4-(methoxymethylsulfanyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(methoxymethylsulfanyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(methoxymethylsulfanyl)-N,N-dimethylaniline is COCSc1ccc(N(C)C)cc1.
What is the InChIKey of 4-(methoxymethylsulfanyl)-N,N-dimethylaniline?
The InChIKey is BEJQZMXHPMXCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11(2)9-4-6-10(7-5-9)13-8-12-3/h4-7H,8H2,1-3H3.
What are the key properties of 4-(methoxymethylsulfanyl)-N,N-dimethylaniline?
4-(methoxymethylsulfanyl)-N,N-dimethylaniline has a molecular weight of 197.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylsulfanyl)-N,N-dimethylaniline is sourced from PubChem (CID 3329561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).