N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide

C12H22N2O3S — CID 43615347

IUPACN-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C12H22N2O3S/c1-9-2-3-10(8-13-9)12(15)14-11-4-6-18(16,17)7-5-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyQUOWWASEHSRRNJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide

N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 43615347) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide
PubChem CID43615347
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(=O)NC2CCS(=O)(=O)CC2)CN1
InChIInChI=1S/C12H22N2O3S/c1-9-2-3-10(8-13-9)12(15)14-11-4-6-18(16,17)7-5-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyQUOWWASEHSRRNJ-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 43610281
N-(1,1-dioxothian-4-yl)-5-methylpiperazine-2-carboxamide
CID 63102388
6-methyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 24707818
3-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 66032491
6-methyl-N-(2-methyloxolan-3-yl)piperidine-3-carboxamide
CID 82729344
N-carbamoyl-6-methylpiperidine-3-carboxamide
CID 131001630
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-methylpiperidine-3-carboxamide
CID 24695324
[4-[(1,1-dioxothian-4-yl)carbamoyl]-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 164982584
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide (CID 43615347) is N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(=O)NC2CCS(=O)(=O)CC2)CN1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is QUOWWASEHSRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9-2-3-10(8-13-9)12(15)14-11-4-6-18(16,17)7-5-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide?
N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 43615347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).