[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C13H22N2O2S2 — CID 83057460

IUPAC[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H22N2O2S2/c1-2-5-11-6-3-4-7-15(11)19(16,17)13-8-12(9-14)18-10-13/h8,10-11H,2-7,9,14H2,1H3
InChIKeyJTNSXCIGOFZJDJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.55
Rot. Bonds5

About [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 83057460) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID83057460
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1csc(CN)c1
InChIInChI=1S/C13H22N2O2S2/c1-2-5-11-6-3-4-7-15(11)19(16,17)13-8-12(9-14)18-10-13/h8,10-11H,2-7,9,14H2,1H3
InChIKeyJTNSXCIGOFZJDJ-UHFFFAOYSA-N
XLogP2.55
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83053469
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
CID 83046357
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 83045893
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
2-(2-propylpiperidin-1-yl)sulfonylethanamine
CID 83053375
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291

Frequently Asked Questions

What is the IUPAC name of [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 83057460) is [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CCCC1CCCCN1S(=O)(=O)c1csc(CN)c1.
What is the InChIKey of [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is JTNSXCIGOFZJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-2-5-11-6-3-4-7-15(11)19(16,17)13-8-12(9-14)18-10-13/h8,10-11H,2-7,9,14H2,1H3.
What are the key properties of [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 302.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 83057460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).