N-ethyl-5-propylthiolan-3-amine

C9H19NS — CID 57113299

IUPACN-ethyl-5-propylthiolan-3-amine
SMILESCCCC1CC(NCC)CS1
InChIInChI=1S/C9H19NS/c1-3-5-9-6-8(7-11-9)10-4-2/h8-10H,3-7H2,1-2H3
InChIKeyHWWNECRDMLOYLT-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.27
Rot. Bonds4

About N-ethyl-5-propylthiolan-3-amine

N-ethyl-5-propylthiolan-3-amine (PubChem CID 57113299) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-ethyl-5-propylthiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-propylthiolan-3-amine
PubChem CID57113299
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-ethyl-5-propylthiolan-3-amine
SMILESCCCC1CC(NCC)CS1
InChIInChI=1S/C9H19NS/c1-3-5-9-6-8(7-11-9)10-4-2/h8-10H,3-7H2,1-2H3
InChIKeyHWWNECRDMLOYLT-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-propylthiolan-3-amine?
The IUPAC name of N-ethyl-5-propylthiolan-3-amine (CID 57113299) is N-ethyl-5-propylthiolan-3-amine.
What is the SMILES notation for N-ethyl-5-propylthiolan-3-amine?
The canonical SMILES for N-ethyl-5-propylthiolan-3-amine is CCCC1CC(NCC)CS1.
What is the InChIKey of N-ethyl-5-propylthiolan-3-amine?
The InChIKey is HWWNECRDMLOYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-9-6-8(7-11-9)10-4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-ethyl-5-propylthiolan-3-amine?
N-ethyl-5-propylthiolan-3-amine has a molecular weight of 173.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-propylthiolan-3-amine is sourced from PubChem (CID 57113299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).