N,5-dimethyl-2H-thiopyran-6-amine

C7H11NS — CID 163674674

IUPACN,5-dimethyl-2H-thiopyran-6-amine
SMILESCNC1=C(C)C=CCS1
InChIInChI=1S/C7H11NS/c1-6-4-3-5-9-7(6)8-2/h3-4,8H,5H2,1-2H3
InChIKeyJFQCMFHMZXEWMY-UHFFFAOYSA-N
MW141.24 g/mol
LogP1.74
Rot. Bonds1

About N,5-dimethyl-2H-thiopyran-6-amine

N,5-dimethyl-2H-thiopyran-6-amine (PubChem CID 163674674) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N,5-dimethyl-2H-thiopyran-6-amine.

Molecular Properties

Compound NameN,5-dimethyl-2H-thiopyran-6-amine
PubChem CID163674674
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN,5-dimethyl-2H-thiopyran-6-amine
SMILESCNC1=C(C)C=CCS1
InChIInChI=1S/C7H11NS/c1-6-4-3-5-9-7(6)8-2/h3-4,8H,5H2,1-2H3
InChIKeyJFQCMFHMZXEWMY-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2H-thiopyran-6-amine?
The IUPAC name of N,5-dimethyl-2H-thiopyran-6-amine (CID 163674674) is N,5-dimethyl-2H-thiopyran-6-amine.
What is the SMILES notation for N,5-dimethyl-2H-thiopyran-6-amine?
The canonical SMILES for N,5-dimethyl-2H-thiopyran-6-amine is CNC1=C(C)C=CCS1.
What is the InChIKey of N,5-dimethyl-2H-thiopyran-6-amine?
The InChIKey is JFQCMFHMZXEWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6-4-3-5-9-7(6)8-2/h3-4,8H,5H2,1-2H3.
What are the key properties of N,5-dimethyl-2H-thiopyran-6-amine?
N,5-dimethyl-2H-thiopyran-6-amine has a molecular weight of 141.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2H-thiopyran-6-amine is sourced from PubChem (CID 163674674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).