1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine

C14H29NO4S — CID 116765860

IUPAC1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)C1(OCC)CCOCC1
InChIInChI=1S/C14H29NO4S/c1-4-15-13(7-6-12-20(3,16)17)14(19-5-2)8-10-18-11-9-14/h13,15H,4-12H2,1-3H3
InChIKeyIWIROQJQOMDZKK-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.38
Rot. Bonds9

About 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine

1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine (PubChem CID 116765860) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
PubChem CID116765860
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
SMILESCCNC(CCCS(C)(=O)=O)C1(OCC)CCOCC1
InChIInChI=1S/C14H29NO4S/c1-4-15-13(7-6-12-20(3,16)17)14(19-5-2)8-10-18-11-9-14/h13,15H,4-12H2,1-3H3
InChIKeyIWIROQJQOMDZKK-UHFFFAOYSA-N
XLogP1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-ethylsulfonyl-1-(4-methoxyoxan-4-yl)butan-1-amine
CID 116764968
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
N-ethyl-1-(1-methylcyclohexyl)-4-methylsulfonylbutan-1-amine
CID 106829882
1-(4-ethoxyoxan-4-yl)-N-methylpentan-1-amine
CID 116765698
1-(4-methoxyoxan-4-yl)-4-methylsulfonylbutan-1-amine
CID 116764422
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
1-(4-ethoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765966
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(4-ethoxyoxan-4-yl)-N-methylheptan-1-amine
CID 116765630
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
N-ethyl-4-methylsulfonyl-1-(1-phenylcyclobutyl)butan-1-amine
CID 63192049
1-(1-ethoxycyclopentyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 116761963

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine (CID 116765860) is 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine is CCNC(CCCS(C)(=O)=O)C1(OCC)CCOCC1.
What is the InChIKey of 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
The InChIKey is IWIROQJQOMDZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4S/c1-4-15-13(7-6-12-20(3,16)17)14(19-5-2)8-10-18-11-9-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine?
1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine has a molecular weight of 307.46 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyoxan-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 116765860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).