N-methoxy-2-methylthian-3-amine

C7H15NOS — CID 82706986

IUPACN-methoxy-2-methylthian-3-amine
SMILESCONC1CCCSC1C
InChIInChI=1S/C7H15NOS/c1-6-7(8-9-2)4-3-5-10-6/h6-8H,3-5H2,1-2H3
InChIKeyPBKRTSDZWQOXGI-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.42
Rot. Bonds2

About N-methoxy-2-methylthian-3-amine

N-methoxy-2-methylthian-3-amine (PubChem CID 82706986) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N-methoxy-2-methylthian-3-amine.

Molecular Properties

Compound NameN-methoxy-2-methylthian-3-amine
PubChem CID82706986
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN-methoxy-2-methylthian-3-amine
SMILESCONC1CCCSC1C
InChIInChI=1S/C7H15NOS/c1-6-7(8-9-2)4-3-5-10-6/h6-8H,3-5H2,1-2H3
InChIKeyPBKRTSDZWQOXGI-UHFFFAOYSA-N
XLogP1.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-methylthian-3-amine?
The IUPAC name of N-methoxy-2-methylthian-3-amine (CID 82706986) is N-methoxy-2-methylthian-3-amine.
What is the SMILES notation for N-methoxy-2-methylthian-3-amine?
The canonical SMILES for N-methoxy-2-methylthian-3-amine is CONC1CCCSC1C.
What is the InChIKey of N-methoxy-2-methylthian-3-amine?
The InChIKey is PBKRTSDZWQOXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-6-7(8-9-2)4-3-5-10-6/h6-8H,3-5H2,1-2H3.
What are the key properties of N-methoxy-2-methylthian-3-amine?
N-methoxy-2-methylthian-3-amine has a molecular weight of 161.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylthian-3-amine is sourced from PubChem (CID 82706986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).