3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine

C14H30N2O3S — CID 116717542

IUPAC3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H30N2O3S/c1-4-7-14(19-5-2)13(15)10-12-8-6-9-16(11-12)20(3,17)18/h12-14H,4-11,15H2,1-3H3
InChIKeyBRBVMSWJHFRGDY-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.58
Rot. Bonds8

About 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine

3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine (PubChem CID 116717542) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine
PubChem CID116717542
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H30N2O3S/c1-4-7-14(19-5-2)13(15)10-12-8-6-9-16(11-12)20(3,17)18/h12-14H,4-11,15H2,1-3H3
InChIKeyBRBVMSWJHFRGDY-UHFFFAOYSA-N
XLogP1.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-ol
CID 116711480
ethyl 2-amino-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79609481
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
3-N,3-N-diethyl-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butane-2,3-diamine
CID 79619573

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine (CID 116717542) is 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine is CCCC(OCC)C(N)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine?
The InChIKey is BRBVMSWJHFRGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-4-7-14(19-5-2)13(15)10-12-8-6-9-16(11-12)20(3,17)18/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine?
3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine has a molecular weight of 306.47 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylsulfonylpiperidin-3-yl)hexan-2-amine is sourced from PubChem (CID 116717542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).