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

C12H25NO3S — CID 65332408

IUPAC4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1CCCOC1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)9-5-7-12(13-2)11-6-4-8-16-10-11/h11-13H,3-10H2,1-2H3
InChIKeyNSQJCGRSCXBQCX-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds7

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

4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine (PubChem CID 65332408) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
PubChem CID65332408
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)C1CCCOC1
InChIInChI=1S/C12H25NO3S/c1-3-17(14,15)9-5-7-12(13-2)11-6-4-8-16-10-11/h11-13H,3-10H2,1-2H3
InChIKeyNSQJCGRSCXBQCX-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-methyl-1-(oxan-4-yl)butan-1-amine
CID 65334809
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
4-ethylsulfonyl-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
CID 115865318
4-ethylsulfonyl-N-methyl-1-(2-methyloxolan-3-yl)butan-1-amine
CID 115865167
1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106727336
1-cyclooctyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 80611662
N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
[4-methylsulfonyl-1-(oxolan-3-yl)butyl]hydrazine
CID 105229315
3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139365

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine (CID 65332408) is 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine is CCS(=O)(=O)CCCC(NC)C1CCCOC1.
What is the InChIKey of 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine?
The InChIKey is NSQJCGRSCXBQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-3-17(14,15)9-5-7-12(13-2)11-6-4-8-16-10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine?
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 1.22, 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-(oxan-3-yl)butan-1-amine is sourced from PubChem (CID 65332408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).