N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine

C18H24N2O3S — CID 24732704

IUPACN-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NCc2ccco2)CC1
InChIInChI=1S/C18H24N2O3S/c1-24(21,22)18-7-3-2-5-15(18)14-20-10-8-16(9-11-20)19-13-17-6-4-12-23-17/h2-7,12,16,19H,8-11,13-14H2,1H3
InChIKeyQCANXPZPWYJDFA-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.44
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine

N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (PubChem CID 24732704) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
PubChem CID24732704
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1CN1CCC(NCc2ccco2)CC1
InChIInChI=1S/C18H24N2O3S/c1-24(21,22)18-7-3-2-5-15(18)14-20-10-8-16(9-11-20)19-13-17-6-4-12-23-17/h2-7,12,16,19H,8-11,13-14H2,1H3
InChIKeyQCANXPZPWYJDFA-UHFFFAOYSA-N
XLogP2.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 24732581
1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
CID 115699429
4-tert-butyl-N-(furan-2-ylmethyl)cycloheptan-1-amine
CID 65090187
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
2-bromo-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888184

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine (CID 24732704) is N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is CS(=O)(=O)c1ccccc1CN1CCC(NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
The InChIKey is QCANXPZPWYJDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-24(21,22)18-7-3-2-5-15(18)14-20-10-8-16(9-11-20)19-13-17-6-4-12-23-17/h2-7,12,16,19H,8-11,13-14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine?
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine has a molecular weight of 348.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 24732704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).