N,5-diethylthiolan-3-amine

C8H17NS — CID 57106246

IUPACN,5-diethylthiolan-3-amine
SMILESCCNC1CSC(CC)C1
InChIInChI=1S/C8H17NS/c1-3-8-5-7(6-10-8)9-4-2/h7-9H,3-6H2,1-2H3
InChIKeyFTGKYVLZJXBBJZ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds3

About N,5-diethylthiolan-3-amine

N,5-diethylthiolan-3-amine (PubChem CID 57106246) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,5-diethylthiolan-3-amine.

Molecular Properties

Compound NameN,5-diethylthiolan-3-amine
PubChem CID57106246
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,5-diethylthiolan-3-amine
SMILESCCNC1CSC(CC)C1
InChIInChI=1S/C8H17NS/c1-3-8-5-7(6-10-8)9-4-2/h7-9H,3-6H2,1-2H3
InChIKeyFTGKYVLZJXBBJZ-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-diethylthiolan-3-amine?
The IUPAC name of N,5-diethylthiolan-3-amine (CID 57106246) is N,5-diethylthiolan-3-amine.
What is the SMILES notation for N,5-diethylthiolan-3-amine?
The canonical SMILES for N,5-diethylthiolan-3-amine is CCNC1CSC(CC)C1.
What is the InChIKey of N,5-diethylthiolan-3-amine?
The InChIKey is FTGKYVLZJXBBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-8-5-7(6-10-8)9-4-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N,5-diethylthiolan-3-amine?
N,5-diethylthiolan-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethylthiolan-3-amine is sourced from PubChem (CID 57106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).