N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine

C12H20N2O3S — CID 79604623

IUPACN-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
SMILESCS(=O)(=O)N1CCCC(CNCc2ccco2)C1
InChIInChI=1S/C12H20N2O3S/c1-18(15,16)14-6-2-4-11(10-14)8-13-9-12-5-3-7-17-12/h3,5,7,11,13H,2,4,6,8-10H2,1H3
InChIKeyLEGBLRJENAVDQM-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.04
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine

N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine (PubChem CID 79604623) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
PubChem CID79604623
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
SMILESCS(=O)(=O)N1CCCC(CNCc2ccco2)C1
InChIInChI=1S/C12H20N2O3S/c1-18(15,16)14-6-2-4-11(10-14)8-13-9-12-5-3-7-17-12/h3,5,7,11,13H,2,4,6,8-10H2,1H3
InChIKeyLEGBLRJENAVDQM-UHFFFAOYSA-N
XLogP1.04
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
N-[[4-(chloromethyl)phenyl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 107232938
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
CID 119123165
1-(1-methylsulfonylpiperidin-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106398693
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79609475
1-(1-methylsulfonylpiperidin-3-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 79612064
(3R)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 94022233
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-phenoxyethanamine
CID 79612346
N-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 50949176

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine (CID 79604623) is N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine is CS(=O)(=O)N1CCCC(CNCc2ccco2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine?
The InChIKey is LEGBLRJENAVDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-18(15,16)14-6-2-4-11(10-14)8-13-9-12-5-3-7-17-12/h3,5,7,11,13H,2,4,6,8-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine?
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine has a molecular weight of 272.37 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine is sourced from PubChem (CID 79604623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).