N-methoxythian-4-amine

C6H13NOS — CID 82711175

IUPACN-methoxythian-4-amine
SMILESCONC1CCSCC1
InChIInChI=1S/C6H13NOS/c1-8-7-6-2-4-9-5-3-6/h6-7H,2-5H2,1H3
InChIKeyQYBQCVCSBWVRKV-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.03
Rot. Bonds2

About N-methoxythian-4-amine

N-methoxythian-4-amine (PubChem CID 82711175) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is N-methoxythian-4-amine.

Molecular Properties

Compound NameN-methoxythian-4-amine
PubChem CID82711175
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC NameN-methoxythian-4-amine
SMILESCONC1CCSCC1
InChIInChI=1S/C6H13NOS/c1-8-7-6-2-4-9-5-3-6/h6-7H,2-5H2,1H3
InChIKeyQYBQCVCSBWVRKV-UHFFFAOYSA-N
XLogP1.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.03
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-methoxythian-4-amine?
The IUPAC name of N-methoxythian-4-amine (CID 82711175) is N-methoxythian-4-amine.
What is the SMILES notation for N-methoxythian-4-amine?
The canonical SMILES for N-methoxythian-4-amine is CONC1CCSCC1.
What is the InChIKey of N-methoxythian-4-amine?
The InChIKey is QYBQCVCSBWVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-7-6-2-4-9-5-3-6/h6-7H,2-5H2,1H3.
What are the key properties of N-methoxythian-4-amine?
N-methoxythian-4-amine has a molecular weight of 147.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxythian-4-amine is sourced from PubChem (CID 82711175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).