3-ethyl-N,N-dimethylthiolan-3-amine

C8H17NS — CID 123227709

IUPAC3-ethyl-N,N-dimethylthiolan-3-amine
SMILESCCC1(N(C)C)CCSC1
InChIInChI=1S/C8H17NS/c1-4-8(9(2)3)5-6-10-7-8/h4-7H2,1-3H3
InChIKeyAYXMLLIRHFHJDH-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds2

About 3-ethyl-N,N-dimethylthiolan-3-amine

3-ethyl-N,N-dimethylthiolan-3-amine (PubChem CID 123227709) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethylthiolan-3-amine.

Molecular Properties

Compound Name3-ethyl-N,N-dimethylthiolan-3-amine
PubChem CID123227709
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-ethyl-N,N-dimethylthiolan-3-amine
SMILESCCC1(N(C)C)CCSC1
InChIInChI=1S/C8H17NS/c1-4-8(9(2)3)5-6-10-7-8/h4-7H2,1-3H3
InChIKeyAYXMLLIRHFHJDH-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Ethyl-2-methylthietan-3-yl)pyrrolidine
CID 134881531
(3-Ethyl-2-methylthietan-3-yl)-trimethylazanium iodide
CID 24198613
4-ethyl-N,N-dimethylthian-4-amine
CID 57570234
N,N,3-trimethylthiolan-3-amine
CID 60206394
N,N,4-trimethylthian-4-amine
CID 91101264
(3-Ethyl-2-methylthietan-3-yl)-trimethylazanium
CID 431960
[(2S,3R)-3-ethyl-2-methylthietan-3-yl]-trimethylazanium
CID 92169138
[(2S,3S)-3-ethyl-2-methylthietan-3-yl]-trimethylazanium
CID 92169139
[(2R,3R)-3-ethyl-2-methylthietan-3-yl]-trimethylazanium
CID 92169140
[(2R,3S)-3-ethyl-2-methylthietan-3-yl]-trimethylazanium
CID 92169141
3-(Dimethylamino)-2-methylthiolane-3-carbonitrile
CID 108425192

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethylthiolan-3-amine?
The IUPAC name of 3-ethyl-N,N-dimethylthiolan-3-amine (CID 123227709) is 3-ethyl-N,N-dimethylthiolan-3-amine.
What is the SMILES notation for 3-ethyl-N,N-dimethylthiolan-3-amine?
The canonical SMILES for 3-ethyl-N,N-dimethylthiolan-3-amine is CCC1(N(C)C)CCSC1.
What is the InChIKey of 3-ethyl-N,N-dimethylthiolan-3-amine?
The InChIKey is AYXMLLIRHFHJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-8(9(2)3)5-6-10-7-8/h4-7H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dimethylthiolan-3-amine?
3-ethyl-N,N-dimethylthiolan-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethylthiolan-3-amine is sourced from PubChem (CID 123227709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).