N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine

C10H21NO2S — CID 64655048

IUPACN-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine
SMILESCCNC(C)CS(=O)C1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-3-11-9(2)8-14(12)10-4-6-13-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyNJWBLODZARHRMK-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.91
Rot. Bonds5

About N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine

N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine (PubChem CID 64655048) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine
PubChem CID64655048
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine
SMILESCCNC(C)CS(=O)C1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-3-11-9(2)8-14(12)10-4-6-13-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyNJWBLODZARHRMK-UHFFFAOYSA-N
XLogP0.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine?
The IUPAC name of N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine (CID 64655048) is N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine is CCNC(C)CS(=O)C1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine?
The InChIKey is NJWBLODZARHRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-11-9(2)8-14(12)10-4-6-13-7-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine?
N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-ylsulfinyl)propan-2-amine is sourced from PubChem (CID 64655048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).