N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine

C14H24N2O2S2 — CID 63879290

IUPACN-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C14H24N2O2S2/c1-3-13-8-9-14(19-13)20(17,18)16-10-6-5-7-12(16)11-15-4-2/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyIUMUHSUVURFVRA-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.46
Rot. Bonds6

About N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine

N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine (PubChem CID 63879290) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
PubChem CID63879290
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1S(=O)(=O)c1ccc(CC)s1
InChIInChI=1S/C14H24N2O2S2/c1-3-13-8-9-14(19-13)20(17,18)16-10-6-5-7-12(16)11-15-4-2/h8-9,12,15H,3-7,10-11H2,1-2H3
InChIKeyIUMUHSUVURFVRA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119991256
1-[1-(5-ethylthiophen-2-yl)sulfonylazepan-2-yl]propan-2-one
CID 79541588
2-ethyl-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 110429024
ethyl 1-(5-ethylthiophen-2-yl)sulfonylpiperidine-2-carboxylate
CID 115282486
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
1-(5-ethylthiophen-2-yl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036482
(2S)-1-(5-ethylthiophen-2-yl)sulfonyl-2-(1H-imidazol-2-yl)piperidine
CID 96539033
N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63879127
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
1-[(3S)-4-(5-ethylthiophen-2-yl)sulfonyl-1,4-thiazepan-3-yl]-N,N-dimethylmethanamine
CID 97105245
1-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316543

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine (CID 63879290) is N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1S(=O)(=O)c1ccc(CC)s1.
What is the InChIKey of N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
The InChIKey is IUMUHSUVURFVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-3-13-8-9-14(19-13)20(17,18)16-10-6-5-7-12(16)11-15-4-2/h8-9,12,15H,3-7,10-11H2,1-2H3.
What are the key properties of N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine?
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine has a molecular weight of 316.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63879290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).