N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine

C13H25NO3S — CID 55130641

IUPACN-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCC1(CNC2CC2)CCOCC1
InChIInChI=1S/C13H25NO3S/c1-2-18(15,16)10-7-13(5-8-17-9-6-13)11-14-12-3-4-12/h12,14H,2-11H2,1H3
InChIKeyQNYWLDMABHZUEL-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds7

About N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine

N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine (PubChem CID 55130641) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine
PubChem CID55130641
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCC1(CNC2CC2)CCOCC1
InChIInChI=1S/C13H25NO3S/c1-2-18(15,16)10-7-13(5-8-17-9-6-13)11-14-12-3-4-12/h12,14H,2-11H2,1H3
InChIKeyQNYWLDMABHZUEL-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine (CID 55130641) is N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine is CCS(=O)(=O)CCC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is QNYWLDMABHZUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-2-18(15,16)10-7-13(5-8-17-9-6-13)11-14-12-3-4-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine?
N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylsulfonylethyl)oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55130641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).