[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C13H22N2O2S2 — CID 55160071

IUPAC[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C13H22N2O2S2/c1-3-13(2)6-8-15(9-7-13)19(16,17)12-5-4-11(10-14)18-12/h4-5H,3,6-10,14H2,1-2H3
InChIKeyRZHNSWWEDOIXTN-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.41
Rot. Bonds4

About [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 55160071) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID55160071
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccc(CN)s2)CC1
InChIInChI=1S/C13H22N2O2S2/c1-3-13(2)6-8-15(9-7-13)19(16,17)12-5-4-11(10-14)18-12/h4-5H,3,6-10,14H2,1-2H3
InChIKeyRZHNSWWEDOIXTN-UHFFFAOYSA-N
XLogP2.41
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1,4-thiazepan-4-ylsulfonyl)thiophen-2-yl]methanamine
CID 61423571
N-[[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide;hydrochloride
CID 120778263
N-[2-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 120777112
N-[1-[5-(aminomethyl)thiophen-2-yl]sulfonylpiperidin-4-yl]acetamide
CID 106266502
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395
[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79179857
5-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonyl chloride
CID 65398575
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
[4-[5-(aminomethyl)thiophen-2-yl]sulfonylmorpholin-2-yl]methanol
CID 81204690
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 55160071) is [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CCC1(C)CCN(S(=O)(=O)c2ccc(CN)s2)CC1.
What is the InChIKey of [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is RZHNSWWEDOIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-13(2)6-8-15(9-7-13)19(16,17)12-5-4-11(10-14)18-12/h4-5H,3,6-10,14H2,1-2H3.
What are the key properties of [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 302.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 55160071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).