4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine

C16H29NO3S — CID 104986249

IUPAC4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1c(C)oc(C)c1C
InChIInChI=1S/C16H29NO3S/c1-6-10-17-15(9-8-11-21(18,19)7-2)16-12(3)13(4)20-14(16)5/h15,17H,6-11H2,1-5H3
InChIKeySYRAUMGFDQSUTC-UHFFFAOYSA-N
MW315.48 g/mol
LogP3.46
Rot. Bonds9

About 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine

4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (PubChem CID 104986249) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
PubChem CID104986249
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC Name4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1c(C)oc(C)c1C
InChIInChI=1S/C16H29NO3S/c1-6-10-17-15(9-8-11-21(18,19)7-2)16-12(3)13(4)20-14(16)5/h15,17H,6-11H2,1-5H3
InChIKeySYRAUMGFDQSUTC-UHFFFAOYSA-N
XLogP3.46
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-ethylsulfonyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine
CID 115865157
N-propyl-1-(2,4,5-trimethylfuran-3-yl)nonan-1-amine
CID 115835826
4-ethylsulfonyl-1-(5-methylfuran-3-yl)-N-propylbutan-1-amine
CID 115865314
4-ethylsulfonyl-1-(3-methylfuran-2-yl)-N-propylbutan-1-amine
CID 104806146
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
1-(5-chloro-2-methylphenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865190
4-ethylsulfonyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 65095907
1-(3-chloro-4-methylthiophen-2-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 103406216
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338
1-(2,5-dibromophenyl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 115865316

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine (CID 104986249) is 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1c(C)oc(C)c1C.
What is the InChIKey of 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
The InChIKey is SYRAUMGFDQSUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-6-10-17-15(9-8-11-21(18,19)7-2)16-12(3)13(4)20-14(16)5/h15,17H,6-11H2,1-5H3.
What are the key properties of 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine?
4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine has a molecular weight of 315.48 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-propyl-1-(2,4,5-trimethylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 104986249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).