1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

C13H25N3OS — CID 66422913

IUPAC1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCN(C)C1CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C13H25N3OS/c1-15(2)12-4-3-6-16(9-12)13(17)8-11-10-18-7-5-14-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXRUDKIDAFCYLHS-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.63
Rot. Bonds3

About 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone

1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 66422913) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID66422913
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCN(C)C1CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C13H25N3OS/c1-15(2)12-4-3-6-16(9-12)13(17)8-11-10-18-7-5-14-11/h11-12,14H,3-10H2,1-2H3
InChIKeyXRUDKIDAFCYLHS-UHFFFAOYSA-N
XLogP0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(diethylamino)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941033
1-[3-(hydroxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421814
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-[3-(ethoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119939216
1-(3,4-dimethylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421505
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
CID 66420072
1-(2-methylthiomorpholin-4-yl)-2-thiomorpholin-3-ylethanone
CID 115746768
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66422097
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone (CID 66422913) is 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is CN(C)C1CCCN(C(=O)CC2CSCCN2)C1.
What is the InChIKey of 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is XRUDKIDAFCYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-15(2)12-4-3-6-16(9-12)13(17)8-11-10-18-7-5-14-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 271.43 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 66422913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).