N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide

C12H22N2O3S — CID 108989402

IUPACN-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H22N2O3S/c1-10-4-3-6-14(8-10)12(15)13(2)11-5-7-18(16,17)9-11/h10-11H,3-9H2,1-2H3
InChIKeyPXNAZKSVMKXYFY-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.96
Rot. Bonds1

About N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide (PubChem CID 108989402) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
PubChem CID108989402
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)N(C)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C12H22N2O3S/c1-10-4-3-6-14(8-10)12(15)13(2)11-5-7-18(16,17)9-11/h10-11H,3-9H2,1-2H3
InChIKeyPXNAZKSVMKXYFY-UHFFFAOYSA-N
XLogP0.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethylcyclohexyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116656770
2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618623
N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
CID 116654225
N-(1,1-dioxothiolan-3-yl)-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989379
methyl 3-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-1-carboxylate
CID 110754305
N-cyclopropyl-N,3-dimethylpyrrolidine-1-carboxamide
CID 131154116
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
[5-[(1,1-dioxothiolan-3-yl)-methylamino]pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109285397
[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109122933
N-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N-methyl-1-oxo-1,4-thiazinane-4-carboxamide
CID 136541398
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61205598
1-[(3R)-1,1-dioxothiolan-3-yl]-1,3,3-trimethylurea
CID 7282876

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide (CID 108989402) is N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide is CC1CCCN(C(=O)N(C)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide?
The InChIKey is PXNAZKSVMKXYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10-4-3-6-14(8-10)12(15)13(2)11-5-7-18(16,17)9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108989402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).