N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine

C16H26N2O4S — CID 167752932

IUPACN-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
SMILESCc1ccoc1CNC1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C16H26N2O4S/c1-13-4-11-22-16(13)12-17-14-2-7-18(8-3-14)23(19,20)15-5-9-21-10-6-15/h4,11,14-15,17H,2-3,5-10,12H2,1H3
InChIKeyCTOWAKXZJHRIEQ-UHFFFAOYSA-N
MW342.46 g/mol
LogP1.65
Rot. Bonds5

About N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine

N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine (PubChem CID 167752932) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
PubChem CID167752932
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
SMILESCc1ccoc1CNC1CCN(S(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C16H26N2O4S/c1-13-4-11-22-16(13)12-17-14-2-7-18(8-3-14)23(19,20)15-5-9-21-10-6-15/h4,11,14-15,17H,2-3,5-10,12H2,1H3
InChIKeyCTOWAKXZJHRIEQ-UHFFFAOYSA-N
XLogP1.65
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine
CID 146145032
N-[(3-methylfuran-2-yl)methyl]-4-propylcyclohexan-1-amine
CID 115652704
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699095
1-[(2-methyl-3-pyridinyl)methyl]-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea
CID 132972772
N-[(2S,3S)-3-methylhex-5-en-2-yl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 97101498
N-[(2S,3R)-3-methylhex-5-en-2-yl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine
CID 97101499
1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 136513684
3-[(3-methylfuran-2-yl)methylamino]pyrrolidin-2-one
CID 130637972
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
4-chloro-1-(oxan-4-ylsulfonyl)piperidine
CID 63396412
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine (CID 167752932) is N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine is Cc1ccoc1CNC1CCN(S(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
The InChIKey is CTOWAKXZJHRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-13-4-11-22-16(13)12-17-14-2-7-18(8-3-14)23(19,20)15-5-9-21-10-6-15/h4,11,14-15,17H,2-3,5-10,12H2,1H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine?
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine has a molecular weight of 342.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 167752932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).