N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine

C13H25NO3S — CID 65097181

IUPACN-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C13H25NO3S/c1-2-18(15,16)9-3-6-13(7-8-17-11-13)10-14-12-4-5-12/h12,14H,2-11H2,1H3
InChIKeyXFWNIDORGAMBSQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.36
Rot. Bonds8

About N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 65097181) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID65097181
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC NameN-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)CCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C13H25NO3S/c1-2-18(15,16)9-3-6-13(7-8-17-11-13)10-14-12-4-5-12/h12,14H,2-11H2,1H3
InChIKeyXFWNIDORGAMBSQ-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
N-[[3-(4-methylpentyl)oxolan-3-yl]methyl]cyclopropanamine
CID 83167933
N-[[3-(trimethylsilylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106323583
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
4-(chloromethyl)-4-(3-ethylsulfonylpropyl)oxane
CID 66035549
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
N-[[3-[[3-methoxypropyl(methyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 63007559

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine (CID 65097181) is N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine is CCS(=O)(=O)CCCC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is XFWNIDORGAMBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-2-18(15,16)9-3-6-13(7-8-17-11-13)10-14-12-4-5-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 275.41 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).