N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine

C18H34N2O3S — CID 166020159

IUPACN-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
SMILESCC1COC(CNC2CCCC(C3CCC(S(C)(=O)=O)CC3)N2)C1
InChIInChI=1S/C18H34N2O3S/c1-13-10-15(23-12-13)11-19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22/h13-20H,3-12H2,1-2H3
InChIKeyFNGDLKMHKLMWDO-UHFFFAOYSA-N
MW358.55 g/mol
LogP2.07
Rot. Bonds5

About N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine

N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine (PubChem CID 166020159) has the molecular formula C18H34N2O3S and a molecular weight of 358.55 g/mol. Its IUPAC name is N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine.

Molecular Properties

Compound NameN-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
PubChem CID166020159
Molecular FormulaC18H34N2O3S
Molecular Weight358.55 g/mol
Exact Mass358.23
IUPAC NameN-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine
SMILESCC1COC(CNC2CCCC(C3CCC(S(C)(=O)=O)CC3)N2)C1
InChIInChI=1S/C18H34N2O3S/c1-13-10-15(23-12-13)11-19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22/h13-20H,3-12H2,1-2H3
InChIKeyFNGDLKMHKLMWDO-UHFFFAOYSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
The IUPAC name of N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine (CID 166020159) is N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine.
What is the SMILES notation for N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
The canonical SMILES for N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine is CC1COC(CNC2CCCC(C3CCC(S(C)(=O)=O)CC3)N2)C1.
What is the InChIKey of N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
The InChIKey is FNGDLKMHKLMWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3S/c1-13-10-15(23-12-13)11-19-18-5-3-4-17(20-18)14-6-8-16(9-7-14)24(2,21)22/h13-20H,3-12H2,1-2H3.
What are the key properties of N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine?
N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine has a molecular weight of 358.55 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxolan-2-yl)methyl]-6-(4-methylsulfonylcyclohexyl)piperidin-2-amine is sourced from PubChem (CID 166020159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).