1-methoxy-5-methylsulfonylpentan-2-amine

C7H17NO3S — CID 62318908

IUPAC1-methoxy-5-methylsulfonylpentan-2-amine
SMILESCOCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-11-6-7(8)4-3-5-12(2,9)10/h7H,3-6,8H2,1-2H3
InChIKeyDHMVZHLDYZNGFF-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.22
Rot. Bonds6

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

1-methoxy-5-methylsulfonylpentan-2-amine (PubChem CID 62318908) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-methoxy-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound Name1-methoxy-5-methylsulfonylpentan-2-amine
PubChem CID62318908
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1-methoxy-5-methylsulfonylpentan-2-amine
SMILESCOCC(N)CCCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-11-6-7(8)4-3-5-12(2,9)10/h7H,3-6,8H2,1-2H3
InChIKeyDHMVZHLDYZNGFF-UHFFFAOYSA-N
XLogP-0.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methoxy-5-methylsulfonylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methylsulfonylpentan-2-amine?
The IUPAC name of 1-methoxy-5-methylsulfonylpentan-2-amine (CID 62318908) is 1-methoxy-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for 1-methoxy-5-methylsulfonylpentan-2-amine?
The canonical SMILES for 1-methoxy-5-methylsulfonylpentan-2-amine is COCC(N)CCCS(C)(=O)=O.
What is the InChIKey of 1-methoxy-5-methylsulfonylpentan-2-amine?
The InChIKey is DHMVZHLDYZNGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-11-6-7(8)4-3-5-12(2,9)10/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-methoxy-5-methylsulfonylpentan-2-amine?
1-methoxy-5-methylsulfonylpentan-2-amine has a molecular weight of 195.28 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 62318908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).