5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine

C9H15NS — CID 163694542

IUPAC5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine
SMILESCCC1=CSC(N(C)C)=CC1
InChIInChI=1S/C9H15NS/c1-4-8-5-6-9(10(2)3)11-7-8/h6-7H,4-5H2,1-3H3
InChIKeyJVUUYGZYWJXXEG-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.82
Rot. Bonds2

About 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine

5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine (PubChem CID 163694542) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine.

Molecular Properties

Compound Name5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine
PubChem CID163694542
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine
SMILESCCC1=CSC(N(C)C)=CC1
InChIInChI=1S/C9H15NS/c1-4-8-5-6-9(10(2)3)11-7-8/h6-7H,4-5H2,1-3H3
InChIKeyJVUUYGZYWJXXEG-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine
CID 144789943

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine?
The IUPAC name of 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine (CID 163694542) is 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine.
What is the SMILES notation for 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine?
The canonical SMILES for 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine is CCC1=CSC(N(C)C)=CC1.
What is the InChIKey of 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine?
The InChIKey is JVUUYGZYWJXXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-8-5-6-9(10(2)3)11-7-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine?
5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine is sourced from PubChem (CID 163694542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).