N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine

C14H24N2O2S2 — CID 43628723

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1cc(C(C)NC2CCN(S(C)(=O)=O)CC2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-10-9-14(12(3)19-10)11(2)15-13-5-7-16(8-6-13)20(4,17)18/h9,11,13,15H,5-8H2,1-4H3
InChIKeyVUTYAHZUGBSSGI-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628723) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
PubChem CID43628723
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine
SMILESCc1cc(C(C)NC2CCN(S(C)(=O)=O)CC2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-10-9-14(12(3)19-10)11(2)15-13-5-7-16(8-6-13)20(4,17)18/h9,11,13,15H,5-8H2,1-4H3
InChIKeyVUTYAHZUGBSSGI-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexanamine
CID 43096415
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-oxothian-4-amine
CID 54981912
N-[1-(3,5-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 81296653
N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628813
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 97232289
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
CID 114239296
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43778771
methyl 4-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoylamino]piperidine-1-carboxylate
CID 94813602
1-(2,5-dimethylthiophen-3-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119979998
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43432492
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43432482

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine (CID 43628723) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine is Cc1cc(C(C)NC2CCN(S(C)(=O)=O)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is VUTYAHZUGBSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10-9-14(12(3)19-10)11(2)15-13-5-7-16(8-6-13)20(4,17)18/h9,11,13,15H,5-8H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 316.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).