1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone

C14H26N2OS — CID 66420113

IUPAC1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESCCCC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-2-3-12-4-7-16(8-5-12)14(17)10-13-11-18-9-6-15-13/h12-13,15H,2-11H2,1H3
InChIKeyGDMZELYPAMIUTA-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.12
Rot. Bonds4

About 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone

1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone (PubChem CID 66420113) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
PubChem CID66420113
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
SMILESCCCC1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-2-3-12-4-7-16(8-5-12)14(17)10-13-11-18-9-6-15-13/h12-13,15H,2-11H2,1H3
InChIKeyGDMZELYPAMIUTA-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
N-butyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936798
1-(4-cyclopentyloxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 119938389
2-methyl-N-[1-(2-thiomorpholin-3-ylacetyl)piperidin-4-yl]propanamide
CID 66422049
1-[3-(diethylamino)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941033

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone (CID 66420113) is 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone is CCCC1CCN(C(=O)CC2CSCCN2)CC1.
What is the InChIKey of 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
The InChIKey is GDMZELYPAMIUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-3-12-4-7-16(8-5-12)14(17)10-13-11-18-9-6-15-13/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone?
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone has a molecular weight of 270.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66420113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).