2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone

C12H24N2OS — CID 66220336

IUPAC2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSC(C)CN
InChIInChI=1S/C12H24N2OS/c1-3-11-6-4-5-7-14(11)12(15)9-16-10(2)8-13/h10-11H,3-9,13H2,1-2H3
InChIKeyNWXAEWXAWJECIJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.86
Rot. Bonds5

About 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone

2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 66220336) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
PubChem CID66220336
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CSC(C)CN
InChIInChI=1S/C12H24N2OS/c1-3-11-6-4-5-7-14(11)12(15)9-16-10(2)8-13/h10-11H,3-9,13H2,1-2H3
InChIKeyNWXAEWXAWJECIJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42891834
6-amino-1-(2-ethylazepan-1-yl)-4-methylhexan-1-one
CID 113441676
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
(3S)-3-amino-3-cyclopropyl-1-[(2R)-2-ethylazepan-1-yl]propan-1-one
CID 99611844
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone (CID 66220336) is 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CSC(C)CN.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is NWXAEWXAWJECIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-3-11-6-4-5-7-14(11)12(15)9-16-10(2)8-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone?
2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 244.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-1-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 66220336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).