N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide

C14H25N3O2S — CID 66420072

IUPACN,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H25N3O2S/c1-16(2)14(19)11-3-6-17(7-4-11)13(18)9-12-10-20-8-5-15-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLPDAOSOKOSTAFT-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.41
Rot. Bonds3

About N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide

N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide (PubChem CID 66420072) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
PubChem CID66420072
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)CC2CSCCN2)CC1
InChIInChI=1S/C14H25N3O2S/c1-16(2)14(19)11-3-6-17(7-4-11)13(18)9-12-10-20-8-5-15-12/h11-12,15H,3-10H2,1-2H3
InChIKeyLPDAOSOKOSTAFT-UHFFFAOYSA-N
XLogP0.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-(4-methylazepan-1-yl)-2-thiomorpholin-3-ylethanone
CID 66421900
1-(4-propylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420113
N-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide;hydrochloride
CID 119936002
1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
1-[4-(methoxymethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422101
1-[3-(dimethylamino)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66422913
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 N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide (CID 66420072) is N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)CC2CSCCN2)CC1.
What is the InChIKey of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide?
The InChIKey is LPDAOSOKOSTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-16(2)14(19)11-3-6-17(7-4-11)13(18)9-12-10-20-8-5-15-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide?
N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 66420072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).