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

C13H26N2O3S — CID 43778786

IUPACN-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine
SMILESCOC1CCCCC1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-18-13-6-4-3-5-12(13)14-11-7-9-15(10-8-11)19(2,16)17/h11-14H,3-10H2,1-2H3
InChIKeyMDZVZECXUVPQPX-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.96
Rot. Bonds4

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

N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43778786) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43778786
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine
SMILESCOC1CCCCC1NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H26N2O3S/c1-18-13-6-4-3-5-12(13)14-11-7-9-15(10-8-11)19(2,16)17/h11-14H,3-10H2,1-2H3
InChIKeyMDZVZECXUVPQPX-UHFFFAOYSA-N
XLogP0.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.96
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-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine (CID 43778786) is N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine is COC1CCCCC1NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is MDZVZECXUVPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-18-13-6-4-3-5-12(13)14-11-7-9-15(10-8-11)19(2,16)17/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 290.43 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43778786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).