N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine

C9H19NS2 — CID 91579707

IUPACN-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine
SMILESCCNC1CSC(CCSC)C1
InChIInChI=1S/C9H19NS2/c1-3-10-8-6-9(12-7-8)4-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyVWHLKAXTDHUBRG-UHFFFAOYSA-N
MW205.39 g/mol
LogP2.22
Rot. Bonds5

About N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine

N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine (PubChem CID 91579707) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine
PubChem CID91579707
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC NameN-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine
SMILESCCNC1CSC(CCSC)C1
InChIInChI=1S/C9H19NS2/c1-3-10-8-6-9(12-7-8)4-5-11-2/h8-10H,3-7H2,1-2H3
InChIKeyVWHLKAXTDHUBRG-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine?
The IUPAC name of N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine (CID 91579707) is N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine.
What is the SMILES notation for N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine?
The canonical SMILES for N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine is CCNC1CSC(CCSC)C1.
What is the InChIKey of N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine?
The InChIKey is VWHLKAXTDHUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS2/c1-3-10-8-6-9(12-7-8)4-5-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine?
N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine has a molecular weight of 205.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-methylsulfanylethyl)thiolan-3-amine is sourced from PubChem (CID 91579707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).