2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine

C15H23NO3S — CID 64675315

IUPAC2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C15H23NO3S/c1-2-14(15(16)12-6-4-3-5-7-12)20(17,18)13-8-10-19-11-9-13/h3-7,13-15H,2,8-11,16H2,1H3
InChIKeyFWIDRGWWHRQAMK-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.06
Rot. Bonds5

About 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine

2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine (PubChem CID 64675315) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine
PubChem CID64675315
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C15H23NO3S/c1-2-14(15(16)12-6-4-3-5-7-12)20(17,18)13-8-10-19-11-9-13/h3-7,13-15H,2,8-11,16H2,1H3
InChIKeyFWIDRGWWHRQAMK-UHFFFAOYSA-N
XLogP2.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine (CID 64675315) is 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine is CCC(C(N)c1ccccc1)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine?
The InChIKey is FWIDRGWWHRQAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-14(15(16)12-6-4-3-5-7-12)20(17,18)13-8-10-19-11-9-13/h3-7,13-15H,2,8-11,16H2,1H3.
What are the key properties of 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine?
2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfonyl)-1-phenylbutan-1-amine is sourced from PubChem (CID 64675315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).