N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine

C15H30N2O3S — CID 43791489

IUPACN-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CCCCC2OC)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-12-21(18,19)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)20-2/h13-16H,3-12H2,1-2H3
InChIKeyXOONVTNOQXJMNF-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.74
Rot. Bonds6

About N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine

N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 43791489) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID43791489
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC NameN-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(NC2CCCCC2OC)CC1
InChIInChI=1S/C15H30N2O3S/c1-3-12-21(18,19)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)20-2/h13-16H,3-12H2,1-2H3
InChIKeyXOONVTNOQXJMNF-UHFFFAOYSA-N
XLogP1.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine (CID 43791489) is N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(NC2CCCCC2OC)CC1.
What is the InChIKey of N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is XOONVTNOQXJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-12-21(18,19)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)20-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine?
N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 318.48 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43791489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).