N-methyl-2H-thiopyran-4-amine

C6H9NS — CID 70273602

IUPACN-methyl-2H-thiopyran-4-amine
SMILESCNC1=CCSC=C1
InChIInChI=1S/C6H9NS/c1-7-6-2-4-8-5-3-6/h2-4,7H,5H2,1H3
InChIKeySEAPWCJUYIMNPB-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.35
Rot. Bonds1

About N-methyl-2H-thiopyran-4-amine

N-methyl-2H-thiopyran-4-amine (PubChem CID 70273602) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is N-methyl-2H-thiopyran-4-amine.

Molecular Properties

Compound NameN-methyl-2H-thiopyran-4-amine
PubChem CID70273602
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC NameN-methyl-2H-thiopyran-4-amine
SMILESCNC1=CCSC=C1
InChIInChI=1S/C6H9NS/c1-7-6-2-4-8-5-3-6/h2-4,7H,5H2,1H3
InChIKeySEAPWCJUYIMNPB-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2H-thiopyran-4-amine?
The IUPAC name of N-methyl-2H-thiopyran-4-amine (CID 70273602) is N-methyl-2H-thiopyran-4-amine.
What is the SMILES notation for N-methyl-2H-thiopyran-4-amine?
The canonical SMILES for N-methyl-2H-thiopyran-4-amine is CNC1=CCSC=C1.
What is the InChIKey of N-methyl-2H-thiopyran-4-amine?
The InChIKey is SEAPWCJUYIMNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-7-6-2-4-8-5-3-6/h2-4,7H,5H2,1H3.
What are the key properties of N-methyl-2H-thiopyran-4-amine?
N-methyl-2H-thiopyran-4-amine has a molecular weight of 127.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-thiopyran-4-amine is sourced from PubChem (CID 70273602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).