N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

C13H25N3O3S — CID 43607275

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)N(C)C1CCS(=O)(=O)C1)C1CCNCC1
InChIInChI=1S/C13H25N3O3S/c1-15(11-3-6-14-7-4-11)9-13(17)16(2)12-5-8-20(18,19)10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyXBKAFEJDBJUKDR-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.68
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 43607275) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID43607275
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(CC(=O)N(C)C1CCS(=O)(=O)C1)C1CCNCC1
InChIInChI=1S/C13H25N3O3S/c1-15(11-3-6-14-7-4-11)9-13(17)16(2)12-5-8-20(18,19)10-12/h11-12,14H,3-10H2,1-2H3
InChIKeyXBKAFEJDBJUKDR-UHFFFAOYSA-N
XLogP-0.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642515
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
2-(1,1-dioxothiolan-3-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 43649177
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912963
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 80519802
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115637928
2-[acetyl(prop-2-enyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113158526
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutanamide
CID 110755793
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 51110428

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide (CID 43607275) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide is CN(CC(=O)N(C)C1CCS(=O)(=O)C1)C1CCNCC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is XBKAFEJDBJUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-15(11-3-6-14-7-4-11)9-13(17)16(2)12-5-8-20(18,19)10-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 303.43 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 43607275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).