(4-methoxythian-4-yl)methanamine

C7H15NOS — CID 66072794

IUPAC(4-methoxythian-4-yl)methanamine
SMILESCOC1(CN)CCSCC1
InChIInChI=1S/C7H15NOS/c1-9-7(6-8)2-4-10-5-3-7/h2-6,8H2,1H3
InChIKeyRWYQDCPAKAXOMQ-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds2

About (4-methoxythian-4-yl)methanamine

(4-methoxythian-4-yl)methanamine (PubChem CID 66072794) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (4-methoxythian-4-yl)methanamine.

Molecular Properties

Compound Name(4-methoxythian-4-yl)methanamine
PubChem CID66072794
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(4-methoxythian-4-yl)methanamine
SMILESCOC1(CN)CCSCC1
InChIInChI=1S/C7H15NOS/c1-9-7(6-8)2-4-10-5-3-7/h2-6,8H2,1H3
InChIKeyRWYQDCPAKAXOMQ-UHFFFAOYSA-N
XLogP0.86
TPSA35.25 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxythian-4-yl)methanamine?
The IUPAC name of (4-methoxythian-4-yl)methanamine (CID 66072794) is (4-methoxythian-4-yl)methanamine.
What is the SMILES notation for (4-methoxythian-4-yl)methanamine?
The canonical SMILES for (4-methoxythian-4-yl)methanamine is COC1(CN)CCSCC1.
What is the InChIKey of (4-methoxythian-4-yl)methanamine?
The InChIKey is RWYQDCPAKAXOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-9-7(6-8)2-4-10-5-3-7/h2-6,8H2,1H3.
What are the key properties of (4-methoxythian-4-yl)methanamine?
(4-methoxythian-4-yl)methanamine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxythian-4-yl)methanamine is sourced from PubChem (CID 66072794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).