N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine

C11H23NO3S — CID 103581413

IUPACN-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
SMILESCCS(=O)(=O)CCCNC1(C)CCOC1C
InChIInChI=1S/C11H23NO3S/c1-4-16(13,14)9-5-7-12-11(3)6-8-15-10(11)2/h10,12H,4-9H2,1-3H3
InChIKeyXGBHXMQKIKJUHH-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.97
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine

N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine (PubChem CID 103581413) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
PubChem CID103581413
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
SMILESCCS(=O)(=O)CCCNC1(C)CCOC1C
InChIInChI=1S/C11H23NO3S/c1-4-16(13,14)9-5-7-12-11(3)6-8-15-10(11)2/h10,12H,4-9H2,1-3H3
InChIKeyXGBHXMQKIKJUHH-UHFFFAOYSA-N
XLogP0.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine (CID 103581413) is N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine is CCS(=O)(=O)CCCNC1(C)CCOC1C.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine?
The InChIKey is XGBHXMQKIKJUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-4-16(13,14)9-5-7-12-11(3)6-8-15-10(11)2/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine?
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine has a molecular weight of 249.38 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).