N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine

C8H13NS — CID 142050904

IUPACN-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
SMILESCCN(C)C1=C=CCCS1
InChIInChI=1S/C8H13NS/c1-3-9(2)8-6-4-5-7-10-8/h4H,3,5,7H2,1-2H3
InChIKeySLAVOALACFEFNO-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.07
Rot. Bonds2

About N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine

N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine (PubChem CID 142050904) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
PubChem CID142050904
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
SMILESCCN(C)C1=C=CCCS1
InChIInChI=1S/C8H13NS/c1-3-9(2)8-6-4-5-7-10-8/h4H,3,5,7H2,1-2H3
InChIKeySLAVOALACFEFNO-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(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
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-3,4-dihydro-2H-thiopyran-6-amine
CID 142050819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine?
The IUPAC name of N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine (CID 142050904) is N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine.
What is the SMILES notation for N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine?
The canonical SMILES for N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine is CCN(C)C1=C=CCCS1.
What is the InChIKey of N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine?
The InChIKey is SLAVOALACFEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-9(2)8-6-4-5-7-10-8/h4H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine?
N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine has a molecular weight of 155.27 g/mol, XLogP of 2.07, 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-2,3-dihydrothiopyran-6-amine is sourced from PubChem (CID 142050904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).