N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine

C8H15NS — CID 142050819

IUPACN-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
SMILESCCN(C)C1=CCCCS1
InChIInChI=1S/C8H15NS/c1-3-9(2)8-6-4-5-7-10-8/h6H,3-5,7H2,1-2H3
InChIKeyHPEXKNXMIOMTRC-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.31
Rot. Bonds2

About N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine

N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine (PubChem CID 142050819) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
PubChem CID142050819
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
SMILESCCN(C)C1=CCCCS1
InChIInChI=1S/C8H15NS/c1-3-9(2)8-6-4-5-7-10-8/h6H,3-5,7H2,1-2H3
InChIKeyHPEXKNXMIOMTRC-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine 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)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(E)-1-ethylsulfanyl-N,N-dimethylbut-1-en-1-amine
CID 134923273
(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
CID 134923287
2-Butylidene-3-methyl-1,3-thiazinane
CID 123302051
2-ethyl-N,N-dimethyl-2,3-dihydrothiophen-5-amine
CID 123459159
6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
CID 123995452
(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
CID 139538978
N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
CID 142050904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine?
The IUPAC name of N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine (CID 142050819) is N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine.
What is the SMILES notation for N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine?
The canonical SMILES for N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine is CCN(C)C1=CCCCS1.
What is the InChIKey of N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine?
The InChIKey is HPEXKNXMIOMTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-9(2)8-6-4-5-7-10-8/h6H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine?
N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine has a molecular weight of 157.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine is sourced from PubChem (CID 142050819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).