N-methoxy-4,4-dimethylthian-3-amine

C8H17NOS — CID 82706103

IUPACN-methoxy-4,4-dimethylthian-3-amine
SMILESCONC1CSCCC1(C)C
InChIInChI=1S/C8H17NOS/c1-8(2)4-5-11-6-7(8)9-10-3/h7,9H,4-6H2,1-3H3
InChIKeySGDBKJFPXCZOAW-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.67
Rot. Bonds2

About N-methoxy-4,4-dimethylthian-3-amine

N-methoxy-4,4-dimethylthian-3-amine (PubChem CID 82706103) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-methoxy-4,4-dimethylthian-3-amine.

Molecular Properties

Compound NameN-methoxy-4,4-dimethylthian-3-amine
PubChem CID82706103
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-methoxy-4,4-dimethylthian-3-amine
SMILESCONC1CSCCC1(C)C
InChIInChI=1S/C8H17NOS/c1-8(2)4-5-11-6-7(8)9-10-3/h7,9H,4-6H2,1-3H3
InChIKeySGDBKJFPXCZOAW-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.67
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-4,4-dimethylthian-3-amine?
The IUPAC name of N-methoxy-4,4-dimethylthian-3-amine (CID 82706103) is N-methoxy-4,4-dimethylthian-3-amine.
What is the SMILES notation for N-methoxy-4,4-dimethylthian-3-amine?
The canonical SMILES for N-methoxy-4,4-dimethylthian-3-amine is CONC1CSCCC1(C)C.
What is the InChIKey of N-methoxy-4,4-dimethylthian-3-amine?
The InChIKey is SGDBKJFPXCZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-8(2)4-5-11-6-7(8)9-10-3/h7,9H,4-6H2,1-3H3.
What are the key properties of N-methoxy-4,4-dimethylthian-3-amine?
N-methoxy-4,4-dimethylthian-3-amine has a molecular weight of 175.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4,4-dimethylthian-3-amine is sourced from PubChem (CID 82706103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).