1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine

C10H23NO3S — CID 62320377

IUPAC1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)COC
InChIInChI=1S/C10H23NO3S/c1-4-7-11-10(9-14-2)6-5-8-15(3,12)13/h10-11H,4-9H2,1-3H3
InChIKeyVBSUPMZNUMZJSK-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.83
Rot. Bonds9

About 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine

1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine (PubChem CID 62320377) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
PubChem CID62320377
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)COC
InChIInChI=1S/C10H23NO3S/c1-4-7-11-10(9-14-2)6-5-8-15(3,12)13/h10-11H,4-9H2,1-3H3
InChIKeyVBSUPMZNUMZJSK-UHFFFAOYSA-N
XLogP0.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
The IUPAC name of 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine (CID 62320377) is 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
The canonical SMILES for 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine is CCCNC(CCCS(C)(=O)=O)COC.
What is the InChIKey of 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
The InChIKey is VBSUPMZNUMZJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-7-11-10(9-14-2)6-5-8-15(3,12)13/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine?
1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine is sourced from PubChem (CID 62320377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).