2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine

C8H15NS — CID 163888073

IUPAC2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine
SMILESCCC1SCC=CC1NC
InChIInChI=1S/C8H15NS/c1-3-8-7(9-2)5-4-6-10-8/h4-5,7-9H,3,6H2,1-2H3
InChIKeyPZDMMWBRLQIPGE-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.66
Rot. Bonds2

About 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine

2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine (PubChem CID 163888073) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine
PubChem CID163888073
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine
SMILESCCC1SCC=CC1NC
InChIInChI=1S/C8H15NS/c1-3-8-7(9-2)5-4-6-10-8/h4-5,7-9H,3,6H2,1-2H3
InChIKeyPZDMMWBRLQIPGE-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-4-methylsulfanylcyclohex-2-en-1-amine
CID 169834968
9-Thiabicyclo[3.3.1]non-6-en-2-amine, N-methyl-, endo-
CID 550870
2-Methyl-2,3,3a,4-tetrahydrothieno[3,2-b]pyridine
CID 67100810
3,4,4a,5,6,7-hexahydro-2H-thiopyrano[3,2-b]pyridine
CID 69235985
(2R,3aR,7aS)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89325437
(3aR,7aS)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89340289
(3aR)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89367410
N-methyl-4-methylsulfanylcyclohexa-2,4-dien-1-amine
CID 89390535
4a,5,8,8a-tetrahydro-2H-thiopyrano[3,2-b]pyridine
CID 89427517
2-Ethylsulfanylcyclohex-3-en-1-amine
CID 90863716
N-(2-methylsulfanylethyl)cyclohex-3-en-1-amine
CID 116095058
(4R)-4-[(Z)-but-2-enyl]-2-methyl-5-methylidene-1,3-thiazolidine
CID 118214002

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine?
The IUPAC name of 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine (CID 163888073) is 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine.
What is the SMILES notation for 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine?
The canonical SMILES for 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine is CCC1SCC=CC1NC.
What is the InChIKey of 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine?
The InChIKey is PZDMMWBRLQIPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-8-7(9-2)5-4-6-10-8/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine?
2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-3,6-dihydro-2H-thiopyran-3-amine is sourced from PubChem (CID 163888073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).