4-methoxy-1-methylsulfonylpentan-3-amine

C7H17NO3S — CID 79617033

IUPAC4-methoxy-1-methylsulfonylpentan-3-amine
SMILESCOC(C)C(N)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-6(11-2)7(8)4-5-12(3,9)10/h6-7H,4-5,8H2,1-3H3
InChIKeyAXCRUGRQWRXNGB-UHFFFAOYSA-N
MW195.28 g/mol
LogP-0.22
Rot. Bonds5

About 4-methoxy-1-methylsulfonylpentan-3-amine

4-methoxy-1-methylsulfonylpentan-3-amine (PubChem CID 79617033) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is 4-methoxy-1-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name4-methoxy-1-methylsulfonylpentan-3-amine
PubChem CID79617033
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name4-methoxy-1-methylsulfonylpentan-3-amine
SMILESCOC(C)C(N)CCS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-6(11-2)7(8)4-5-12(3,9)10/h6-7H,4-5,8H2,1-3H3
InChIKeyAXCRUGRQWRXNGB-UHFFFAOYSA-N
XLogP-0.22
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylsulfonylpentan-3-amine?
The IUPAC name of 4-methoxy-1-methylsulfonylpentan-3-amine (CID 79617033) is 4-methoxy-1-methylsulfonylpentan-3-amine.
What is the SMILES notation for 4-methoxy-1-methylsulfonylpentan-3-amine?
The canonical SMILES for 4-methoxy-1-methylsulfonylpentan-3-amine is COC(C)C(N)CCS(C)(=O)=O.
What is the InChIKey of 4-methoxy-1-methylsulfonylpentan-3-amine?
The InChIKey is AXCRUGRQWRXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-6(11-2)7(8)4-5-12(3,9)10/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-methoxy-1-methylsulfonylpentan-3-amine?
4-methoxy-1-methylsulfonylpentan-3-amine has a molecular weight of 195.28 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylsulfonylpentan-3-amine is sourced from PubChem (CID 79617033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).