4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine

C11H19NO3S — CID 60919938

IUPAC4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine
SMILESCC(CCc1ccco1)NCCS(C)(=O)=O
InChIInChI=1S/C11H19NO3S/c1-10(12-7-9-16(2,13)14)5-6-11-4-3-8-15-11/h3-4,8,10,12H,5-7,9H2,1-2H3
InChIKeyKLYHSMZZKJPVBY-UHFFFAOYSA-N
MW245.34 g/mol
LogP1.23
Rot. Bonds7

About 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine

4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine (PubChem CID 60919938) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine
PubChem CID60919938
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine
SMILESCC(CCc1ccco1)NCCS(C)(=O)=O
InChIInChI=1S/C11H19NO3S/c1-10(12-7-9-16(2,13)14)5-6-11-4-3-8-15-11/h3-4,8,10,12H,5-7,9H2,1-2H3
InChIKeyKLYHSMZZKJPVBY-UHFFFAOYSA-N
XLogP1.23
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine (CID 60919938) is 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine is CC(CCc1ccco1)NCCS(C)(=O)=O.
What is the InChIKey of 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine?
The InChIKey is KLYHSMZZKJPVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-10(12-7-9-16(2,13)14)5-6-11-4-3-8-15-11/h3-4,8,10,12H,5-7,9H2,1-2H3.
What are the key properties of 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine?
4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine has a molecular weight of 245.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(2-methylsulfonylethyl)butan-2-amine is sourced from PubChem (CID 60919938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).