N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine

C14H29NO3S — CID 114534513

IUPACN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCCS(=O)(=O)CC)CCOC1C
InChIInChI=1S/C14H29NO3S/c1-4-9-15-12-14(8-10-18-13(14)3)7-6-11-19(16,17)5-2/h13,15H,4-12H2,1-3H3
InChIKeyJQBJKGNICLAEIY-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.00
Rot. Bonds9

About N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine (PubChem CID 114534513) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
PubChem CID114534513
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCCS(=O)(=O)CC)CCOC1C
InChIInChI=1S/C14H29NO3S/c1-4-9-15-12-14(8-10-18-13(14)3)7-6-11-19(16,17)5-2/h13,15H,4-12H2,1-3H3
InChIKeyJQBJKGNICLAEIY-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.00
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

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534974
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534670
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
N-methyl-1-[2-methyl-3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
CID 114534203
N-[[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114535054
N-[[2-(3-ethylsulfonylpropyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-1-amine
CID 65096862
3-[(2-ethylsulfonylethylamino)methyl]-2-methyloxolan-3-ol
CID 106101245
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413
N-[[2-methyl-3-(oxolan-2-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534581
2-methyl-N-[(2-methyl-3-nonyloxolan-3-yl)methyl]propan-1-amine
CID 114535124

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine (CID 114534513) is N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCCS(=O)(=O)CC)CCOC1C.
What is the InChIKey of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine?
The InChIKey is JQBJKGNICLAEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-4-9-15-12-14(8-10-18-13(14)3)7-6-11-19(16,17)5-2/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine?
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 114534513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).