4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine

C12H25NO3S — CID 115865318

IUPAC4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1OCCC1C
InChIInChI=1S/C12H25NO3S/c1-4-17(14,15)9-5-6-11(13-3)12-10(2)7-8-16-12/h10-13H,4-9H2,1-3H3
InChIKeyMDKDJVHXCOKOCG-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.21
Rot. Bonds7

About 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine

4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine (PubChem CID 115865318) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
PubChem CID115865318
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1OCCC1C
InChIInChI=1S/C12H25NO3S/c1-4-17(14,15)9-5-6-11(13-3)12-10(2)7-8-16-12/h10-13H,4-9H2,1-3H3
InChIKeyMDKDJVHXCOKOCG-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-methyl-1-(2-methyloxolan-3-yl)butan-1-amine
CID 115865167
4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
1-(3-methyloxolan-2-yl)pentylhydrazine
CID 105293857
N-methyl-1-(3-methyloxolan-2-yl)-2-(oxan-4-yl)ethanamine
CID 115846781
1-(3-methyloxolan-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780261
N-ethyl-1-(3-methyloxolan-2-yl)hex-5-en-1-amine
CID 104986910
3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
[1-(3-methyloxolan-2-yl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314175
2-(furan-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105029302
N-methyl-1-(2-methyloxolan-3-yl)hexan-1-amine
CID 115837016

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine (CID 115865318) is 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine is CCS(=O)(=O)CCCC(NC)C1OCCC1C.
What is the InChIKey of 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
The InChIKey is MDKDJVHXCOKOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-4-17(14,15)9-5-6-11(13-3)12-10(2)7-8-16-12/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine is sourced from PubChem (CID 115865318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).