N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide

C12H22N2O3S — CID 114424060

IUPACN-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC2CCCS(=O)(=O)C2)C1
InChIInChI=1S/C12H22N2O3S/c1-9-4-5-13-11(7-9)12(15)14-10-3-2-6-18(16,17)8-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyZWPCGBFSOBSSSS-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.07
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide

N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide (PubChem CID 114424060) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide
PubChem CID114424060
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC2CCCS(=O)(=O)C2)C1
InChIInChI=1S/C12H22N2O3S/c1-9-4-5-13-11(7-9)12(15)14-10-3-2-6-18(16,17)8-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyZWPCGBFSOBSSSS-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

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Related Compounds

N-(1,1-dioxothian-3-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 63922551
N-(1-cyclopropylpiperidin-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423145
4-methyl-N-(thiolan-3-yl)piperidine-2-carboxamide
CID 103063009
4-methylpiperidine-2-carbohydrazide
CID 114424068
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-2-carboxamide
CID 114423855
N-(2,2-dimethylcyclohexyl)-4-methylpiperidine-2-carboxamide
CID 114424259
N-(1,1-dioxothian-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908870
N-(1,1-dioxothiolan-3-yl)-3-methylpiperidine-2-carboxamide
CID 55059944
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 114422931
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925
4-methyl-N-(2-methyloxolan-3-yl)piperidine-2-carboxamide
CID 114424400
N-[2-(hydroxymethyl)cyclopentyl]-4-methylpiperidine-2-carboxamide
CID 106361223

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide (CID 114424060) is N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NC2CCCS(=O)(=O)C2)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide?
The InChIKey is ZWPCGBFSOBSSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-9-4-5-13-11(7-9)12(15)14-10-3-2-6-18(16,17)8-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-carboxamide?
N-(1,1-dioxothian-3-yl)-4-methylpiperidine-2-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-3-yl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).