1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide

C15H24N2O3S — CID 86779183

IUPAC1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)CC2CCCCC2)cn1
InChIInChI=1S/C15H24N2O3S/c1-17(11-14-8-9-15(20-2)16-10-14)21(18,19)12-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyLBEADDSXAKJNGC-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.43
Rot. Bonds6

About 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide

1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide (PubChem CID 86779183) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide
PubChem CID86779183
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)CC2CCCCC2)cn1
InChIInChI=1S/C15H24N2O3S/c1-17(11-14-8-9-15(20-2)16-10-14)21(18,19)12-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3
InChIKeyLBEADDSXAKJNGC-UHFFFAOYSA-N
XLogP2.43
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide (CID 86779183) is 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide is COc1ccc(CN(C)S(=O)(=O)CC2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is LBEADDSXAKJNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-17(11-14-8-9-15(20-2)16-10-14)21(18,19)12-13-6-4-3-5-7-13/h8-10,13H,3-7,11-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide?
1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 86779183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).