N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine

C12H25NO3S — CID 62718512

IUPACN-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCS(=O)(=O)CC)CCOC1
InChIInChI=1S/C12H25NO3S/c1-3-7-13-10-12(5-8-16-11-12)6-9-17(14,15)4-2/h13H,3-11H2,1-2H3
InChIKeyHLXCUJXWVFDVEQ-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds8

About N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine

N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62718512) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
PubChem CID62718512
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCS(=O)(=O)CC)CCOC1
InChIInChI=1S/C12H25NO3S/c1-3-7-13-10-12(5-8-16-11-12)6-9-17(14,15)4-2/h13H,3-11H2,1-2H3
InChIKeyHLXCUJXWVFDVEQ-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.22
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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Related Compounds

2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
CID 65097129
N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
N-[[3-(2-propan-2-yloxyethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719201
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
N-[[1-(2-methylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 66024011
N-[[3-[[ethyl(methyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62262903
N-[[3-(morpholin-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62263535
N-[[3-(oxan-4-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718347
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 65097181

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine (CID 62718512) is N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCS(=O)(=O)CC)CCOC1.
What is the InChIKey of N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is HLXCUJXWVFDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-7-13-10-12(5-8-16-11-12)6-9-17(14,15)4-2/h13H,3-11H2,1-2H3.
What are the key properties of N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine?
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62718512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).