N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine

C13H22N2O3S — CID 75426807

IUPACN-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
SMILESCCc1ccc(CNC2CCCN(S(C)(=O)=O)C2)o1
InChIInChI=1S/C13H22N2O3S/c1-3-12-6-7-13(18-12)9-14-11-5-4-8-15(10-11)19(2,16)17/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyBUWCYDWXRBOYAF-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds5

About N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine

N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine (PubChem CID 75426807) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
PubChem CID75426807
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
SMILESCCc1ccc(CNC2CCCN(S(C)(=O)=O)C2)o1
InChIInChI=1S/C13H22N2O3S/c1-3-12-6-7-13(18-12)9-14-11-5-4-8-15(10-11)19(2,16)17/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyBUWCYDWXRBOYAF-UHFFFAOYSA-N
XLogP1.36
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751
N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
(3R)-N-(1-benzothiophen-2-ylmethyl)-1-methylsulfonylpiperidin-3-amine
CID 97224296
N-ethyl-1-methylsulfonylazepan-3-amine
CID 121359011
3-[(3S)-3-[(5-ethylfuran-2-yl)methylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129343468
1-(5-ethylfuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79613154
[5-[[[(3R,4R)-3-ethyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]furan-2-yl]methanol
CID 124743357
4-[(5-ethylfuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 65055158
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
CID 138020894
2-(4-ethoxyphenoxy)-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47909972

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine (CID 75426807) is N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine is CCc1ccc(CNC2CCCN(S(C)(=O)=O)C2)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine?
The InChIKey is BUWCYDWXRBOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-12-6-7-13(18-12)9-14-11-5-4-8-15(10-11)19(2,16)17/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine?
N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine has a molecular weight of 286.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine is sourced from PubChem (CID 75426807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).