1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine

C17H22N2O3S — CID 119123165

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
SMILESO=S(=O)(c1ccccc1)N1CCC(CNCc2ccco2)CC1
InChIInChI=1S/C17H22N2O3S/c20-23(21,17-6-2-1-3-7-17)19-10-8-15(9-11-19)13-18-14-16-5-4-12-22-16/h1-7,12,15,18H,8-11,13-14H2
InChIKeyKBWNLBQQZPNYOE-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.47
Rot. Bonds6

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine

1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 119123165) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
PubChem CID119123165
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
SMILESO=S(=O)(c1ccccc1)N1CCC(CNCc2ccco2)CC1
InChIInChI=1S/C17H22N2O3S/c20-23(21,17-6-2-1-3-7-17)19-10-8-15(9-11-19)13-18-14-16-5-4-12-22-16/h1-7,12,15,18H,8-11,13-14H2
InChIKeyKBWNLBQQZPNYOE-UHFFFAOYSA-N
XLogP2.47
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 86893271
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 119123184
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1044182
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
4-(4-formylpiperazin-1-yl)sulfonyl-N-(furan-2-ylmethyl)benzamide
CID 19258176
1-(2,3-dihydro-1H-inden-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 103675715
N-[[(2R)-3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
CID 7032148
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71935195
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
2-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]guanidine
CID 110930257

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine (CID 119123165) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine is O=S(=O)(c1ccccc1)N1CCC(CNCc2ccco2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is KBWNLBQQZPNYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c20-23(21,17-6-2-1-3-7-17)19-10-8-15(9-11-19)13-18-14-16-5-4-12-22-16/h1-7,12,15,18H,8-11,13-14H2.
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine?
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 334.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 119123165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).