N-(diethylaminosulfanyl)-2-methoxyethanamine

C7H18N2OS — CID 155587294

IUPACN-(diethylaminosulfanyl)-2-methoxyethanamine
SMILESCCN(CC)SNCCOC
InChIInChI=1S/C7H18N2OS/c1-4-9(5-2)11-8-6-7-10-3/h8H,4-7H2,1-3H3
InChIKeyRLHOXXLIEIVGNQ-UHFFFAOYSA-N
MW178.30 g/mol
LogP1.13
Rot. Bonds7

About N-(diethylaminosulfanyl)-2-methoxyethanamine

N-(diethylaminosulfanyl)-2-methoxyethanamine (PubChem CID 155587294) has the molecular formula C7H18N2OS and a molecular weight of 178.30 g/mol. Its IUPAC name is N-(diethylaminosulfanyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-(diethylaminosulfanyl)-2-methoxyethanamine
PubChem CID155587294
Molecular FormulaC7H18N2OS
Molecular Weight178.30 g/mol
Exact Mass178.11
IUPAC NameN-(diethylaminosulfanyl)-2-methoxyethanamine
SMILESCCN(CC)SNCCOC
InChIInChI=1S/C7H18N2OS/c1-4-9(5-2)11-8-6-7-10-3/h8H,4-7H2,1-3H3
InChIKeyRLHOXXLIEIVGNQ-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diethylaminosulfanyl)-2-methoxyethanamine?
The IUPAC name of N-(diethylaminosulfanyl)-2-methoxyethanamine (CID 155587294) is N-(diethylaminosulfanyl)-2-methoxyethanamine.
What is the SMILES notation for N-(diethylaminosulfanyl)-2-methoxyethanamine?
The canonical SMILES for N-(diethylaminosulfanyl)-2-methoxyethanamine is CCN(CC)SNCCOC.
What is the InChIKey of N-(diethylaminosulfanyl)-2-methoxyethanamine?
The InChIKey is RLHOXXLIEIVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2OS/c1-4-9(5-2)11-8-6-7-10-3/h8H,4-7H2,1-3H3.
What are the key properties of N-(diethylaminosulfanyl)-2-methoxyethanamine?
N-(diethylaminosulfanyl)-2-methoxyethanamine has a molecular weight of 178.30 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminosulfanyl)-2-methoxyethanamine is sourced from PubChem (CID 155587294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).