2-(oxan-4-ylsulfinyl)pentan-3-amine

C10H21NO2S — CID 64655252

IUPAC2-(oxan-4-ylsulfinyl)pentan-3-amine
SMILESCCC(N)C(C)S(=O)C1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-3-10(11)8(2)14(12)9-4-6-13-7-5-9/h8-10H,3-7,11H2,1-2H3
InChIKeySMSZEWNSDGQVFZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.04
Rot. Bonds4

About 2-(oxan-4-ylsulfinyl)pentan-3-amine

2-(oxan-4-ylsulfinyl)pentan-3-amine (PubChem CID 64655252) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfinyl)pentan-3-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfinyl)pentan-3-amine
PubChem CID64655252
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(oxan-4-ylsulfinyl)pentan-3-amine
SMILESCCC(N)C(C)S(=O)C1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-3-10(11)8(2)14(12)9-4-6-13-7-5-9/h8-10H,3-7,11H2,1-2H3
InChIKeySMSZEWNSDGQVFZ-UHFFFAOYSA-N
XLogP1.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfinyl)pentan-3-amine?
The IUPAC name of 2-(oxan-4-ylsulfinyl)pentan-3-amine (CID 64655252) is 2-(oxan-4-ylsulfinyl)pentan-3-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfinyl)pentan-3-amine?
The canonical SMILES for 2-(oxan-4-ylsulfinyl)pentan-3-amine is CCC(N)C(C)S(=O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfinyl)pentan-3-amine?
The InChIKey is SMSZEWNSDGQVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-10(11)8(2)14(12)9-4-6-13-7-5-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-(oxan-4-ylsulfinyl)pentan-3-amine?
2-(oxan-4-ylsulfinyl)pentan-3-amine has a molecular weight of 219.35 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfinyl)pentan-3-amine is sourced from PubChem (CID 64655252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).