1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine

C15H26N2O2S2 — CID 43771737

IUPAC1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C15H26N2O2S2/c1-4-21(18,19)17-9-7-13(8-10-17)16-15(12(2)3)14-6-5-11-20-14/h5-6,11-13,15-16H,4,7-10H2,1-3H3
InChIKeyVQESIZDOLUAFKC-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.85
Rot. Bonds6

About 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine

1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine (PubChem CID 43771737) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
PubChem CID43771737
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C15H26N2O2S2/c1-4-21(18,19)17-9-7-13(8-10-17)16-15(12(2)3)14-6-5-11-20-14/h5-6,11-13,15-16H,4,7-10H2,1-3H3
InChIKeyVQESIZDOLUAFKC-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine
CID 43778771
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 115286975
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
N-(2-methyl-1-thiophen-2-ylpropyl)-4-propylcyclohexan-1-amine
CID 43225917
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062
3-cyclopropyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 64594870
(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 100901271
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
CID 43109619
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
1-ethylsulfonyl-N-[4-(furan-2-yl)butan-2-yl]piperidin-4-amine
CID 43478927
1-(2-methylpropyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 103775855
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
CID 63661199

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine (CID 43771737) is 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NC(c2cccs2)C(C)C)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
The InChIKey is VQESIZDOLUAFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-21(18,19)17-9-7-13(8-10-17)16-15(12(2)3)14-6-5-11-20-14/h5-6,11-13,15-16H,4,7-10H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine?
1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine has a molecular weight of 330.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidin-4-amine is sourced from PubChem (CID 43771737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).