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

C12H25NO3S — CID 65097129

IUPACN-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCS(=O)(=O)CC)CCOC1
InChIInChI=1S/C12H25NO3S/c1-3-13-10-12(7-8-16-11-12)6-5-9-17(14,15)4-2/h13H,3-11H2,1-2H3
InChIKeyBNMRPIQBJPIPLX-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds8

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

N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 65097129) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
PubChem CID65097129
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(CCCS(=O)(=O)CC)CCOC1
InChIInChI=1S/C12H25NO3S/c1-3-13-10-12(7-8-16-11-12)6-5-9-17(14,15)4-2/h13H,3-11H2,1-2H3
InChIKeyBNMRPIQBJPIPLX-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

Analyze N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]cyclopropanamine
CID 65097181
N-[(3-decyloxolan-3-yl)methyl]ethanamine
CID 63502132
N-[[3-(2-tert-butylsulfonylethyl)oxolan-3-yl]methyl]ethanamine
CID 106729992
N-[[3-(2-ethylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 62718512
[3-(3-ethylsulfonylpropyl)oxan-3-yl]methanol
CID 66059232
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 63195699
4-(chloromethyl)-4-(3-ethylsulfonylpropyl)oxane
CID 66035549
3-(bromomethyl)-3-(3-ethylsulfonylpropyl)oxane
CID 66043475
2-methyl-N-[[3-(2-propylsulfonylethyl)oxolan-3-yl]methyl]propan-1-amine
CID 106730002
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
3-(chloromethyl)-3-(2-ethylsulfonylethyl)oxolane
CID 66033231
1-[1-(3-ethylsulfonylpropyl)cyclobutyl]-N-methylmethanamine
CID 65194813

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine (CID 65097129) is N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(CCCS(=O)(=O)CC)CCOC1.
What is the InChIKey of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is BNMRPIQBJPIPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-13-10-12(7-8-16-11-12)6-5-9-17(14,15)4-2/h13H,3-11H2,1-2H3.
What are the key properties of N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine?
N-[[3-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine 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-(3-ethylsulfonylpropyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 65097129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).