N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine

C18H24N2O3S — CID 75515115

IUPACN-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine
SMILESCN(Cc1ccc(-c2ccccc2)o1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24N2O3S/c1-19(16-10-12-20(13-11-16)24(2,21)22)14-17-8-9-18(23-17)15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyIKURYHXPQTYOPM-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.80
Rot. Bonds5

About N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine

N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine (PubChem CID 75515115) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine
PubChem CID75515115
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine
SMILESCN(Cc1ccc(-c2ccccc2)o1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C18H24N2O3S/c1-19(16-10-12-20(13-11-16)24(2,21)22)14-17-8-9-18(23-17)15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
InChIKeyIKURYHXPQTYOPM-UHFFFAOYSA-N
XLogP2.80
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine (CID 75515115) is N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine is CN(Cc1ccc(-c2ccccc2)o1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine?
The InChIKey is IKURYHXPQTYOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-19(16-10-12-20(13-11-16)24(2,21)22)14-17-8-9-18(23-17)15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3.
What are the key properties of N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine?
N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine has a molecular weight of 348.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfonyl-N-[(5-phenylfuran-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 75515115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).