5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine

C10H23NO3S — CID 65263193

IUPAC5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine
SMILESCOCCS(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C10H23NO3S/c1-10(2,9-11)5-4-7-15(12,13)8-6-14-3/h4-9,11H2,1-3H3
InChIKeyLMZDRZCVNBCWKQ-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.81
Rot. Bonds8

About 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine

5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine (PubChem CID 65263193) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine
PubChem CID65263193
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine
SMILESCOCCS(=O)(=O)CCCC(C)(C)CN
InChIInChI=1S/C10H23NO3S/c1-10(2,9-11)5-4-7-15(12,13)8-6-14-3/h4-9,11H2,1-3H3
InChIKeyLMZDRZCVNBCWKQ-UHFFFAOYSA-N
XLogP0.81
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine (CID 65263193) is 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine is COCCS(=O)(=O)CCCC(C)(C)CN.
What is the InChIKey of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine?
The InChIKey is LMZDRZCVNBCWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-10(2,9-11)5-4-7-15(12,13)8-6-14-3/h4-9,11H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine?
5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonyl)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65263193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).