N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine

C9H21NO3S — CID 62318736

IUPACN-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine
SMILESCCNC(CCCS(C)(=O)=O)COC
InChIInChI=1S/C9H21NO3S/c1-4-10-9(8-13-2)6-5-7-14(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyYOQXNQOQYOVCPB-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.44
Rot. Bonds8

About N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine

N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine (PubChem CID 62318736) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine
PubChem CID62318736
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC NameN-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine
SMILESCCNC(CCCS(C)(=O)=O)COC
InChIInChI=1S/C9H21NO3S/c1-4-10-9(8-13-2)6-5-7-14(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyYOQXNQOQYOVCPB-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine (CID 62318736) is N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine is CCNC(CCCS(C)(=O)=O)COC.
What is the InChIKey of N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine?
The InChIKey is YOQXNQOQYOVCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-4-10-9(8-13-2)6-5-7-14(3,11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine?
N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 62318736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).