1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine

C14H28N2O3S — CID 43771747

IUPAC1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2CCCCC2OC)CC1
InChIInChI=1S/C14H28N2O3S/c1-3-20(17,18)16-10-8-12(9-11-16)15-13-6-4-5-7-14(13)19-2/h12-15H,3-11H2,1-2H3
InChIKeyLJRTWYZCEABPTQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.35
Rot. Bonds5

About 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine

1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine (PubChem CID 43771747) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine
PubChem CID43771747
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC2CCCCC2OC)CC1
InChIInChI=1S/C14H28N2O3S/c1-3-20(17,18)16-10-8-12(9-11-16)15-13-6-4-5-7-14(13)19-2/h12-15H,3-11H2,1-2H3
InChIKeyLJRTWYZCEABPTQ-UHFFFAOYSA-N
XLogP1.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine?
The IUPAC name of 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine (CID 43771747) is 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine is CCS(=O)(=O)N1CCC(NC2CCCCC2OC)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine?
The InChIKey is LJRTWYZCEABPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-20(17,18)16-10-8-12(9-11-16)15-13-6-4-5-7-14(13)19-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine?
1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(2-methoxycyclohexyl)piperidin-4-amine is sourced from PubChem (CID 43771747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).