N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide

C9H18N2O2S — CID 130582048

IUPACN-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N=S(C)(C)=O
InChIInChI=1S/C9H18N2O2S/c1-7-5-4-6-10-8(7)9(12)11-14(2,3)13/h7-8,10H,4-6H2,1-3H3
InChIKeyVSLRYVQGLXPQMV-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.63
Rot. Bonds1

About N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide

N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide (PubChem CID 130582048) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide
PubChem CID130582048
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N=S(C)(C)=O
InChIInChI=1S/C9H18N2O2S/c1-7-5-4-6-10-8(7)9(12)11-14(2,3)13/h7-8,10H,4-6H2,1-3H3
InChIKeyVSLRYVQGLXPQMV-UHFFFAOYSA-N
XLogP0.63
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-2-yl)ethanone
CID 54775356
1-[(2R,3S)-3-methylpiperidin-2-yl]ethanone
CID 95735292
2,2-dimethyl-1-(3-methylpiperidin-2-yl)propan-1-one
CID 176832528
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
(2R)-3-hydroxy-2-[(3-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 107068392
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
N-cyclohexyl-N,3-dimethylpiperidine-2-carboxamide
CID 62339784
N-cyclopropyl-N-ethyl-3-methylpiperidine-2-carboxamide
CID 107067196
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
3-methylbutan-2-yl 3-methylpiperidine-2-carboxylate
CID 107071163
N,N-bis(2-hydroxyethyl)-3-methylpiperidine-2-carboxamide
CID 62339294
1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 62338760

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide (CID 130582048) is N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N=S(C)(C)=O.
What is the InChIKey of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide?
The InChIKey is VSLRYVQGLXPQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7-5-4-6-10-8(7)9(12)11-14(2,3)13/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide?
N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide has a molecular weight of 218.32 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl(oxo)-λ6-sulfanylidene]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 130582048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).