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

C14H29NO3S — CID 114534670

IUPACN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCCC1(CNC(C)C)CCOC1C
InChIInChI=1S/C14H29NO3S/c1-5-19(16,17)10-6-7-14(11-15-12(2)3)8-9-18-13(14)4/h12-13,15H,5-11H2,1-4H3
InChIKeyIKBKACPKLNTPSY-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.99
Rot. Bonds8

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

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine (PubChem CID 114534670) 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-2-amine.

Molecular Properties

Compound NameN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
PubChem CID114534670
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCCC1(CNC(C)C)CCOC1C
InChIInChI=1S/C14H29NO3S/c1-5-19(16,17)10-6-7-14(11-15-12(2)3)8-9-18-13(14)4/h12-13,15H,5-11H2,1-4H3
InChIKeyIKBKACPKLNTPSY-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534513
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 114534974
N-[[3-(2-tert-butylsulfonylethyl)-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 106730407
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 103412751
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
[3-(2-ethylsulfonylethyl)-2-methyloxolan-3-yl]methanamine
CID 114534101
3-(chloromethyl)-3-(2-ethylsulfonylethyl)-2-methyloxolane
CID 114535793
N-[(2-cyclopropyl-3-hexyloxolan-3-yl)methyl]propan-2-amine
CID 104509877
N-[[2-methyl-3-(2-propan-2-ylsulfonylethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106730412
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]propan-2-amine
CID 63195697
N-(3-ethylsulfonylpropyl)-2,3-dimethyloxolan-3-amine
CID 103581413

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine (CID 114534670) is N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine is CCS(=O)(=O)CCCC1(CNC(C)C)CCOC1C.
What is the InChIKey of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine?
The InChIKey is IKBKACPKLNTPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-5-19(16,17)10-6-7-14(11-15-12(2)3)8-9-18-13(14)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine?
N-[[3-(3-ethylsulfonylpropyl)-2-methyloxolan-3-yl]methyl]propan-2-amine has a molecular weight of 291.46 g/mol, XLogP of 1.99, 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)-2-methyloxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114534670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).