N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide

C17H27NO2S — CID 146213555

IUPACN-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide
SMILESCCC(CC)c1ccc(S(=O)NCC2CCC(C)O2)cc1
InChIInChI=1S/C17H27NO2S/c1-4-14(5-2)15-7-10-17(11-8-15)21(19)18-12-16-9-6-13(3)20-16/h7-8,10-11,13-14,16,18H,4-6,9,12H2,1-3H3
InChIKeyHPZVKXMDRLELPK-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.77
Rot. Bonds7

About N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide

N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide (PubChem CID 146213555) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide
PubChem CID146213555
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide
SMILESCCC(CC)c1ccc(S(=O)NCC2CCC(C)O2)cc1
InChIInChI=1S/C17H27NO2S/c1-4-14(5-2)15-7-10-17(11-8-15)21(19)18-12-16-9-6-13(3)20-16/h7-8,10-11,13-14,16,18H,4-6,9,12H2,1-3H3
InChIKeyHPZVKXMDRLELPK-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide (CID 146213555) is N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide is CCC(CC)c1ccc(S(=O)NCC2CCC(C)O2)cc1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide?
The InChIKey is HPZVKXMDRLELPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-14(5-2)15-7-10-17(11-8-15)21(19)18-12-16-9-6-13(3)20-16/h7-8,10-11,13-14,16,18H,4-6,9,12H2,1-3H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide?
N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide has a molecular weight of 309.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-4-pentan-3-ylbenzenesulfinamide is sourced from PubChem (CID 146213555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).