1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine

C11H23NO4S — CID 116764422

IUPAC1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCOC1(C(N)CCCS(C)(=O)=O)CCOCC1
InChIInChI=1S/C11H23NO4S/c1-15-11(5-7-16-8-6-11)10(12)4-3-9-17(2,13)14/h10H,3-9,12H2,1-2H3
InChIKeyPUHVINYHZCBIII-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.33
Rot. Bonds6

About 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine

1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine (PubChem CID 116764422) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
PubChem CID116764422
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCOC1(C(N)CCCS(C)(=O)=O)CCOCC1
InChIInChI=1S/C11H23NO4S/c1-15-11(5-7-16-8-6-11)10(12)4-3-9-17(2,13)14/h10H,3-9,12H2,1-2H3
InChIKeyPUHVINYHZCBIII-UHFFFAOYSA-N
XLogP0.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxycyclopentyl)-4-methylsulfonylbutan-1-amine
CID 104610727
5,5,5-trifluoro-1-(4-methoxyoxan-4-yl)pentan-1-amine
CID 116764437
4-ethylsulfonyl-1-(1-methoxy-4,4-dimethylcyclohexyl)butan-1-amine
CID 116769078
1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 116765860
N-ethyl-4-ethylsulfonyl-1-(4-methoxyoxan-4-yl)butan-1-amine
CID 116764968
1-(4-methoxyoxan-4-yl)-3-(oxolan-2-yl)propan-1-amine
CID 116764425
[1-(1-methoxy-4-methylcyclohexyl)-4-methylsulfonylbutyl]hydrazine
CID 105277043
1-(1-methoxycyclopentyl)hexan-1-amine
CID 104610613
1-(1-methoxycyclopentyl)heptan-1-amine
CID 104610578
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
1-(4-methoxyoxan-4-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190361
1-(4-methoxyoxan-4-yl)undecan-1-ol
CID 116753924

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine (CID 116764422) is 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine is COC1(C(N)CCCS(C)(=O)=O)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine?
The InChIKey is PUHVINYHZCBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-15-11(5-7-16-8-6-11)10(12)4-3-9-17(2,13)14/h10H,3-9,12H2,1-2H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine?
1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 116764422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).