3-methyl-2H-thiopyran-2-amine

C6H9NS — CID 141215627

IUPAC3-methyl-2H-thiopyran-2-amine
SMILESCC1=CC=CSC1N
InChIInChI=1S/C6H9NS/c1-5-3-2-4-8-6(5)7/h2-4,6H,7H2,1H3
InChIKeyRQMSOYBBLNZQIQ-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.48
Rot. Bonds

About 3-methyl-2H-thiopyran-2-amine

3-methyl-2H-thiopyran-2-amine (PubChem CID 141215627) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3-methyl-2H-thiopyran-2-amine.

Molecular Properties

Compound Name3-methyl-2H-thiopyran-2-amine
PubChem CID141215627
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3-methyl-2H-thiopyran-2-amine
SMILESCC1=CC=CSC1N
InChIInChI=1S/C6H9NS/c1-5-3-2-4-8-6(5)7/h2-4,6H,7H2,1H3
InChIKeyRQMSOYBBLNZQIQ-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-thiopyran-2-amine?
The IUPAC name of 3-methyl-2H-thiopyran-2-amine (CID 141215627) is 3-methyl-2H-thiopyran-2-amine.
What is the SMILES notation for 3-methyl-2H-thiopyran-2-amine?
The canonical SMILES for 3-methyl-2H-thiopyran-2-amine is CC1=CC=CSC1N.
What is the InChIKey of 3-methyl-2H-thiopyran-2-amine?
The InChIKey is RQMSOYBBLNZQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-3-2-4-8-6(5)7/h2-4,6H,7H2,1H3.
What are the key properties of 3-methyl-2H-thiopyran-2-amine?
3-methyl-2H-thiopyran-2-amine has a molecular weight of 127.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-thiopyran-2-amine is sourced from PubChem (CID 141215627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).