1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine

C14H24N2O2S2 — CID 62346420

IUPAC1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCCc1ccc(CNC2CCN(S(=O)(=O)CC)CC2)s1
InChIInChI=1S/C14H24N2O2S2/c1-3-13-5-6-14(19-13)11-15-12-7-9-16(10-8-12)20(17,18)4-2/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyCERZLHHCMOVIDV-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.21
Rot. Bonds6

About 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine

1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 62346420) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
PubChem CID62346420
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCCc1ccc(CNC2CCN(S(=O)(=O)CC)CC2)s1
InChIInChI=1S/C14H24N2O2S2/c1-3-13-5-6-14(19-13)11-15-12-7-9-16(10-8-12)20(17,18)4-2/h5-6,12,15H,3-4,7-11H2,1-2H3
InChIKeyCERZLHHCMOVIDV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62346982
N-[(5-ethylthiophen-2-yl)methyl]oxan-4-amine
CID 43610154
1-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 47030573
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804
N-[(5-ethylfuran-2-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 62344557
N-[(5-ethylthiophen-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 106009339
N-[(5-ethylthiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107093556
N-[(5-chloro-2-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 75431856
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
1-ethylsulfonyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-amine
CID 62743069
N-[(5-ethylthiophen-2-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64731685

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine (CID 62346420) is 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine is CCc1ccc(CNC2CCN(S(=O)(=O)CC)CC2)s1.
What is the InChIKey of 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is CERZLHHCMOVIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-13-5-6-14(19-13)11-15-12-7-9-16(10-8-12)20(17,18)4-2/h5-6,12,15H,3-4,7-11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine?
1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 316.49 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(5-ethylthiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 62346420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).