cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

C16H26N2O3S — CID 129424024

IUPACcis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1c(C)cnc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1C
InChIInChI=1S/C16H26N2O3S/c1-11-9-17-13(12(2)16(11)21-4)10-18(3)14-7-6-8-15(14)22(5,19)20/h9,14-15H,6-8,10H2,1-5H3/t14-,15+/m0/s1
InChIKeyRWTGTNCHMXBISM-LSDHHAIUSA-N
MW326.46 g/mol
LogP2.10
Rot. Bonds5

About cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine

cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (PubChem CID 129424024) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
PubChem CID129424024
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Namecis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
SMILESCOc1c(C)cnc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1C
InChIInChI=1S/C16H26N2O3S/c1-11-9-17-13(12(2)16(11)21-4)10-18(3)14-7-6-8-15(14)22(5,19)20/h9,14-15H,6-8,10H2,1-5H3/t14-,15+/m0/s1
InChIKeyRWTGTNCHMXBISM-LSDHHAIUSA-N
XLogP2.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine (CID 129424024) is cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is COc1c(C)cnc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1C.
What is the InChIKey of cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is RWTGTNCHMXBISM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11-9-17-13(12(2)16(11)21-4)10-18(3)14-7-6-8-15(14)22(5,19)20/h9,14-15H,6-8,10H2,1-5H3/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine?
cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 326.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 129424024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).