(3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone

C14H26N2OS — CID 119323611

IUPAC(3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone
SMILESCCSC1CCCCN(C(=O)C2CCCNC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-18-13-7-3-4-9-16(11-13)14(17)12-6-5-8-15-10-12/h12-13,15H,2-11H2,1H3
InChIKeyNRXKXSIJMUXCSY-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.12
Rot. Bonds3

About (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone

(3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone (PubChem CID 119323611) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone
PubChem CID119323611
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name(3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone
SMILESCCSC1CCCCN(C(=O)C2CCCNC2)C1
InChIInChI=1S/C14H26N2OS/c1-2-18-13-7-3-4-9-16(11-13)14(17)12-6-5-8-15-10-12/h12-13,15H,2-11H2,1H3
InChIKeyNRXKXSIJMUXCSY-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-ethylsulfanylazepan-1-yl]-[(1R,3S)-3-methylcyclohexyl]methanone
CID 99810866
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81141316
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891

Frequently Asked Questions

What is the IUPAC name of (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone?
The IUPAC name of (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone (CID 119323611) is (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone is CCSC1CCCCN(C(=O)C2CCCNC2)C1.
What is the InChIKey of (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone?
The InChIKey is NRXKXSIJMUXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-18-13-7-3-4-9-16(11-13)14(17)12-6-5-8-15-10-12/h12-13,15H,2-11H2,1H3.
What are the key properties of (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone?
(3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone has a molecular weight of 270.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylsulfanylazepan-1-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 119323611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).