N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine

C17H27N3O3S — CID 56914733

IUPACN-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(NCc1ccccc1)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C17H27N3O3S/c21-24(22,18-13-15-5-2-1-3-6-15)19-16-8-10-20(11-9-16)14-17-7-4-12-23-17/h1-3,5-6,16-19H,4,7-14H2
InChIKeyWFWCJIPIQXBAMS-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.25
Rot. Bonds7

About N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine

N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine (PubChem CID 56914733) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine
PubChem CID56914733
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine
SMILESO=S(=O)(NCc1ccccc1)NC1CCN(CC2CCCO2)CC1
InChIInChI=1S/C17H27N3O3S/c21-24(22,18-13-15-5-2-1-3-6-15)19-16-8-10-20(11-9-16)14-17-7-4-12-23-17/h1-3,5-6,16-19H,4,7-14H2
InChIKeyWFWCJIPIQXBAMS-UHFFFAOYSA-N
XLogP1.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-sulfonamide
CID 56899858
(2S)-N-benzyl-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-sulfonamide
CID 95725086
(2R)-N-benzyl-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-sulfonamide
CID 95725085
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30982606
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone
CID 55689796
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]acetic acid
CID 79608204

Frequently Asked Questions

What is the IUPAC name of N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine (CID 56914733) is N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine is O=S(=O)(NCc1ccccc1)NC1CCN(CC2CCCO2)CC1.
What is the InChIKey of N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine?
The InChIKey is WFWCJIPIQXBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c21-24(22,18-13-15-5-2-1-3-6-15)19-16-8-10-20(11-9-16)14-17-7-4-12-23-17/h1-3,5-6,16-19H,4,7-14H2.
What are the key properties of N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine?
N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine has a molecular weight of 353.49 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 56914733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).