N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide

C11H20N2O3S — CID 55059944

IUPACN-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8-3-2-5-12-10(8)11(14)13-9-4-6-17(15,16)7-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeySEKNQBFFHXXJKG-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.32
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide (PubChem CID 55059944) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
PubChem CID55059944
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N2O3S/c1-8-3-2-5-12-10(8)11(14)13-9-4-6-17(15,16)7-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeySEKNQBFFHXXJKG-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(oxetan-3-yl)piperidine-2-carboxamide
CID 107068369
3-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 62339292
N-(3-hydroxycyclohexyl)-3-methylpiperidine-2-carboxamide
CID 107067254
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpiperidine-2-carboxamide
CID 107221723
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 107067277
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
(1R,6R)-N-[(3R)-1,1-dioxothiolan-3-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98205718
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858
N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide
CID 114424060
N,N'-bis[(3S)-1,1-dioxothiolan-3-yl]oxamide
CID 7102189
1,3-bis(1,1-dioxothiolan-3-yl)urea
CID 2831152
N-(3-hydroxycyclobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102779646

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide (CID 55059944) is N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
The InChIKey is SEKNQBFFHXXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8-3-2-5-12-10(8)11(14)13-9-4-6-17(15,16)7-9/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 55059944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).