N-(2-methoxyethoxy)-2-methylthian-3-amine

C9H19NO2S — CID 82714307

IUPACN-(2-methoxyethoxy)-2-methylthian-3-amine
SMILESCOCCONC1CCCSC1C
InChIInChI=1S/C9H19NO2S/c1-8-9(4-3-7-13-8)10-12-6-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyMTVIPDLTQVMBOW-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.44
Rot. Bonds5

About N-(2-methoxyethoxy)-2-methylthian-3-amine

N-(2-methoxyethoxy)-2-methylthian-3-amine (PubChem CID 82714307) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-methylthian-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-methylthian-3-amine
PubChem CID82714307
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(2-methoxyethoxy)-2-methylthian-3-amine
SMILESCOCCONC1CCCSC1C
InChIInChI=1S/C9H19NO2S/c1-8-9(4-3-7-13-8)10-12-6-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyMTVIPDLTQVMBOW-UHFFFAOYSA-N
XLogP1.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-methylthian-3-amine?
The IUPAC name of N-(2-methoxyethoxy)-2-methylthian-3-amine (CID 82714307) is N-(2-methoxyethoxy)-2-methylthian-3-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-2-methylthian-3-amine?
The canonical SMILES for N-(2-methoxyethoxy)-2-methylthian-3-amine is COCCONC1CCCSC1C.
What is the InChIKey of N-(2-methoxyethoxy)-2-methylthian-3-amine?
The InChIKey is MTVIPDLTQVMBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8-9(4-3-7-13-8)10-12-6-5-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(2-methoxyethoxy)-2-methylthian-3-amine?
N-(2-methoxyethoxy)-2-methylthian-3-amine has a molecular weight of 205.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-methylthian-3-amine is sourced from PubChem (CID 82714307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).