5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine

C10H23NO3S — CID 105152550

IUPAC5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)COC(C)C
InChIInChI=1S/C10H23NO3S/c1-4-15(12,13)7-5-6-10(11)8-14-9(2)3/h9-10H,4-8,11H2,1-3H3
InChIKeyPTCHRIIJYUEVCE-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.95
Rot. Bonds8

About 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine

5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine (PubChem CID 105152550) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine
PubChem CID105152550
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)COC(C)C
InChIInChI=1S/C10H23NO3S/c1-4-15(12,13)7-5-6-10(11)8-14-9(2)3/h9-10H,4-8,11H2,1-3H3
InChIKeyPTCHRIIJYUEVCE-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine (CID 105152550) is 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine is CCS(=O)(=O)CCCC(N)COC(C)C.
What is the InChIKey of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine?
The InChIKey is PTCHRIIJYUEVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-4-15(12,13)7-5-6-10(11)8-14-9(2)3/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine?
5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-propan-2-yloxypentan-2-amine is sourced from PubChem (CID 105152550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).