N-methyl-2-(4H-thiopyran-2-yl)ethanamine

C8H13NS — CID 143283929

IUPACN-methyl-2-(4H-thiopyran-2-yl)ethanamine
SMILESCNCCC1=CCC=CS1
InChIInChI=1S/C8H13NS/c1-9-6-5-8-4-2-3-7-10-8/h3-4,7,9H,2,5-6H2,1H3
InChIKeyPBMADGKRLDQJQK-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.13
Rot. Bonds3

About N-methyl-2-(4H-thiopyran-2-yl)ethanamine

N-methyl-2-(4H-thiopyran-2-yl)ethanamine (PubChem CID 143283929) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-methyl-2-(4H-thiopyran-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4H-thiopyran-2-yl)ethanamine
PubChem CID143283929
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-methyl-2-(4H-thiopyran-2-yl)ethanamine
SMILESCNCCC1=CCC=CS1
InChIInChI=1S/C8H13NS/c1-9-6-5-8-4-2-3-7-10-8/h3-4,7,9H,2,5-6H2,1H3
InChIKeyPBMADGKRLDQJQK-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(4H-thiopyran-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
2-((Z)-2-pentenyl)thiazolidine
CID 5352330
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
2-(2,3-dihydrothiophen-5-yl)-N-methylethanamine
CID 68333587
(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89340268
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89343193
N-ethyl-2-hex-2-enylsulfanylethanamine
CID 90294734
1-cyclohex-3-en-1-ylsulfanyl-N-methylethanamine
CID 118214000
2-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123468671
4-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123530657
(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
CID 129027035

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4H-thiopyran-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(4H-thiopyran-2-yl)ethanamine (CID 143283929) is N-methyl-2-(4H-thiopyran-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4H-thiopyran-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4H-thiopyran-2-yl)ethanamine is CNCCC1=CCC=CS1.
What is the InChIKey of N-methyl-2-(4H-thiopyran-2-yl)ethanamine?
The InChIKey is PBMADGKRLDQJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-9-6-5-8-4-2-3-7-10-8/h3-4,7,9H,2,5-6H2,1H3.
What are the key properties of N-methyl-2-(4H-thiopyran-2-yl)ethanamine?
N-methyl-2-(4H-thiopyran-2-yl)ethanamine has a molecular weight of 155.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4H-thiopyran-2-yl)ethanamine is sourced from PubChem (CID 143283929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).