N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine

C15H26N2O2S2 — CID 83046357

IUPACN-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(CNCC)cs1
InChIInChI=1S/C15H26N2O2S2/c1-3-7-14-8-5-6-9-17(14)21(18,19)15-10-13(12-20-15)11-16-4-2/h10,12,14,16H,3-9,11H2,1-2H3
InChIKeyZORDCTJNCHIQIA-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.20
Rot. Bonds7

About N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine

N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine (PubChem CID 83046357) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
PubChem CID83046357
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cc(CNCC)cs1
InChIInChI=1S/C15H26N2O2S2/c1-3-7-14-8-5-6-9-17(14)21(18,19)15-10-13(12-20-15)11-16-4-2/h10,12,14,16H,3-9,11H2,1-2H3
InChIKeyZORDCTJNCHIQIA-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-3-yl]methyl]ethanamine
CID 114413983
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057460
[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057755
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
N-[[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 60974926
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
N-methyl-1-[5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83046351
N-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879290
5-methyl-4-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053526

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine (CID 83046357) is N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine is CCCC1CCCCN1S(=O)(=O)c1cc(CNCC)cs1.
What is the InChIKey of N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine?
The InChIKey is ZORDCTJNCHIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-3-7-14-8-5-6-9-17(14)21(18,19)15-10-13(12-20-15)11-16-4-2/h10,12,14,16H,3-9,11H2,1-2H3.
What are the key properties of N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine?
N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine has a molecular weight of 330.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-propylpiperidin-1-yl)sulfonylthiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 83046357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).