N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine

C11H23NO3S — CID 65331658

IUPACN-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CCCOC1
InChIInChI=1S/C11H23NO3S/c1-3-12-11(6-8-16(2,13)14)10-5-4-7-15-9-10/h10-12H,3-9H2,1-2H3
InChIKeyZKDZYXBOEGLVEL-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.83
Rot. Bonds6

About N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine

N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine (PubChem CID 65331658) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
PubChem CID65331658
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
SMILESCCNC(CCS(C)(=O)=O)C1CCCOC1
InChIInChI=1S/C11H23NO3S/c1-3-12-11(6-8-16(2,13)14)10-5-4-7-15-9-10/h10-12H,3-9H2,1-2H3
InChIKeyZKDZYXBOEGLVEL-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine (CID 65331658) is N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine is CCNC(CCS(C)(=O)=O)C1CCCOC1.
What is the InChIKey of N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
The InChIKey is ZKDZYXBOEGLVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-12-11(6-8-16(2,13)14)10-5-4-7-15-9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylsulfonyl-1-(oxan-3-yl)propan-1-amine is sourced from PubChem (CID 65331658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).