N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide

C13H24N2O3S — CID 106627867

IUPACN-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
SMILESCN(CC1CCCNC1)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-15(10-11-5-4-7-14-9-11)13(16)12-6-2-3-8-19(12,17)18/h11-12,14H,2-10H2,1H3
InChIKeyQTAQLLWDVOFGHF-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.41
Rot. Bonds3

About N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide

N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide (PubChem CID 106627867) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
PubChem CID106627867
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
SMILESCN(CC1CCCNC1)C(=O)C1CCCCS1(=O)=O
InChIInChI=1S/C13H24N2O3S/c1-15(10-11-5-4-7-14-9-11)13(16)12-6-2-3-8-19(12,17)18/h11-12,14H,2-10H2,1H3
InChIKeyQTAQLLWDVOFGHF-UHFFFAOYSA-N
XLogP0.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(morpholin-2-ylmethyl)-1,1-dioxothiane-2-carboxamide
CID 104520821
N-methyl-N-(piperidin-3-ylmethyl)oxane-2-carboxamide
CID 106627771
2-[(1,1-dioxothiane-2-carbonyl)-methylamino]acetic acid
CID 104517408
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
N-(2-bromoethyl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104522278
N,5-dimethyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627633
N-methyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106627975
2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
CID 114038062
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106627941
2-methoxy-N,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106627739
2-acetamido-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628048

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide?
The IUPAC name of N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide (CID 106627867) is N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide.
What is the SMILES notation for N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide?
The canonical SMILES for N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide is CN(CC1CCCNC1)C(=O)C1CCCCS1(=O)=O.
What is the InChIKey of N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide?
The InChIKey is QTAQLLWDVOFGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-15(10-11-5-4-7-14-9-11)13(16)12-6-2-3-8-19(12,17)18/h11-12,14H,2-10H2,1H3.
What are the key properties of N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide?
N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide is sourced from PubChem (CID 106627867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).