1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane

C15H30N2O2S — CID 64852031

IUPAC1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
SMILESCCS(=O)(=O)CCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C15H30N2O2S/c1-2-20(18,19)13-12-17-11-5-3-4-6-15(17)14-7-9-16-10-8-14/h14-16H,2-13H2,1H3
InChIKeyDOBVWZNVKDMWAC-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.67
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane

1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane (PubChem CID 64852031) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
PubChem CID64852031
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane
SMILESCCS(=O)(=O)CCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C15H30N2O2S/c1-2-20(18,19)13-12-17-11-5-3-4-6-15(17)14-7-9-16-10-8-14/h14-16H,2-13H2,1H3
InChIKeyDOBVWZNVKDMWAC-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-(2-ethylsulfonylethyl)piperazine
CID 106732784
1-ethyl-2-piperidin-4-ylazepane
CID 64852207
1-(2-methoxyethyl)-2-piperidin-4-ylazepane
CID 64851835
1-(3-methoxypropyl)-2-piperidin-4-ylazepane
CID 64852585
N,N-diethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide
CID 64852409
N,N-dimethyl-2-(2-piperidin-4-ylazepan-1-yl)acetamide
CID 64852015
1-(oxan-4-ylmethyl)-2-piperidin-4-ylazepane
CID 64852197
4-(1-ethylsulfonylpyrrolidin-2-yl)piperidine
CID 60979368
2-cyclohexyl-1-(2-methylsulfonylethyl)piperazine
CID 64845062
1-(2-methoxyethylsulfonyl)-2-piperidin-4-ylazepane
CID 64611469
2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
CID 106731157
N-methyl-4-(2-piperidin-4-ylpyrrolidin-1-yl)butanamide
CID 66271101

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane?
The IUPAC name of 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane (CID 64852031) is 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane is CCS(=O)(=O)CCN1CCCCCC1C1CCNCC1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane?
The InChIKey is DOBVWZNVKDMWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-2-20(18,19)13-12-17-11-5-3-4-6-15(17)14-7-9-16-10-8-14/h14-16H,2-13H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane?
1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane has a molecular weight of 302.48 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-2-piperidin-4-ylazepane is sourced from PubChem (CID 64852031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).