N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine

C12H25NO3S — CID 83033238

IUPACN-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
SMILESCCS(=O)(=O)CCCNC1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO3S/c1-4-17(14,15)9-5-7-13-11-6-8-16-12(2,3)10-11/h11,13H,4-10H2,1-3H3
InChIKeyHFLJBZYONMKSMT-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds6

About N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine

N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine (PubChem CID 83033238) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
PubChem CID83033238
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
SMILESCCS(=O)(=O)CCCNC1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO3S/c1-4-17(14,15)9-5-7-13-11-6-8-16-12(2,3)10-11/h11,13H,4-10H2,1-3H3
InChIKeyHFLJBZYONMKSMT-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
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)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine (CID 83033238) is N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine is CCS(=O)(=O)CCCNC1CCOC(C)(C)C1.
What is the InChIKey of N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine?
The InChIKey is HFLJBZYONMKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-17(14,15)9-5-7-13-11-6-8-16-12(2,3)10-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine?
N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83033238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).