1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine

C10H17NO3S — CID 105029951

IUPAC1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
SMILESCC(C)(C(N)Cc1ccoc1)S(C)(=O)=O
InChIInChI=1S/C10H17NO3S/c1-10(2,15(3,12)13)9(11)6-8-4-5-14-7-8/h4-5,7,9H,6,11H2,1-3H3
InChIKeyFBMFPIJLJJMSBK-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.97
Rot. Bonds4

About 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine

1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine (PubChem CID 105029951) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
PubChem CID105029951
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine
SMILESCC(C)(C(N)Cc1ccoc1)S(C)(=O)=O
InChIInChI=1S/C10H17NO3S/c1-10(2,15(3,12)13)9(11)6-8-4-5-14-7-8/h4-5,7,9H,6,11H2,1-3H3
InChIKeyFBMFPIJLJJMSBK-UHFFFAOYSA-N
XLogP0.97
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine?
The IUPAC name of 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine (CID 105029951) is 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine is CC(C)(C(N)Cc1ccoc1)S(C)(=O)=O.
What is the InChIKey of 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine?
The InChIKey is FBMFPIJLJJMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-10(2,15(3,12)13)9(11)6-8-4-5-14-7-8/h4-5,7,9H,6,11H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine?
1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine has a molecular weight of 231.32 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-methyl-3-methylsulfonylbutan-2-amine is sourced from PubChem (CID 105029951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).