N,N-diethyl-2H-thiopyran-2-amine

C9H15NS — CID 123924880

IUPACN,N-diethyl-2H-thiopyran-2-amine
SMILESCCN(CC)C1C=CC=CS1
InChIInChI=1S/C9H15NS/c1-3-10(4-2)9-7-5-6-8-11-9/h5-9H,3-4H2,1-2H3
InChIKeyJWHFERUEKHMFMR-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.47
Rot. Bonds3

About N,N-diethyl-2H-thiopyran-2-amine

N,N-diethyl-2H-thiopyran-2-amine (PubChem CID 123924880) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N,N-diethyl-2H-thiopyran-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2H-thiopyran-2-amine
PubChem CID123924880
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN,N-diethyl-2H-thiopyran-2-amine
SMILESCCN(CC)C1C=CC=CS1
InChIInChI=1S/C9H15NS/c1-3-10(4-2)9-7-5-6-8-11-9/h5-9H,3-4H2,1-2H3
InChIKeyJWHFERUEKHMFMR-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Diethylaminothiopyran
CID 129646622
4-Diethylaminothiopyranthion
CID 129648583
(2E,4Z)-N-methyl-4-methylsulfanyl-N-prop-2-enylhexa-2,4-dien-1-amine
CID 21575938
1-methyl-2-methylsulfanyl-2H-pyridine
CID 421290
6-methyl-1-(2-methylsulfanylethyl)-2H-pyridine
CID 59893091
magnesium;N,N-dimethyl-2-phenylsulfanylethanamine;bromide
CID 88327329
1-methyl-6-methylsulfanyl-2H-pyridine
CID 138478309
(1-ethyl-2H-pyridin-2-yl) thiocyanate
CID 141268891
5,6-Bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine
CID 142222940
(Z)-but-2-ene;N,N-diethyl-2-methylsulfanylethanamine;(3Z)-penta-1,3-diene
CID 145423500
(2Z,4E)-N,N-dimethyl-2-methylsulfanylhexa-2,4-dien-1-amine
CID 155197761
2,3-Dimethyl-2,4-dihydro-1,3-thiazine;hydrochloride
CID 173435603

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2H-thiopyran-2-amine?
The IUPAC name of N,N-diethyl-2H-thiopyran-2-amine (CID 123924880) is N,N-diethyl-2H-thiopyran-2-amine.
What is the SMILES notation for N,N-diethyl-2H-thiopyran-2-amine?
The canonical SMILES for N,N-diethyl-2H-thiopyran-2-amine is CCN(CC)C1C=CC=CS1.
What is the InChIKey of N,N-diethyl-2H-thiopyran-2-amine?
The InChIKey is JWHFERUEKHMFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-10(4-2)9-7-5-6-8-11-9/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2H-thiopyran-2-amine?
N,N-diethyl-2H-thiopyran-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2H-thiopyran-2-amine is sourced from PubChem (CID 123924880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).