N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

C13H26N2O2S — CID 114084405

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1NCCCC1(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O2S/c1-13(2)6-4-7-14-12(13)9-15(3)11-5-8-18(16,17)10-11/h11-12,14H,4-10H2,1-3H3
InChIKeySYEACYSIEOAXEA-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.88
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 114084405) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID114084405
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCN(CC1NCCCC1(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H26N2O2S/c1-13(2)6-4-7-14-12(13)9-15(3)11-5-8-18(16,17)10-11/h11-12,14H,4-10H2,1-3H3
InChIKeySYEACYSIEOAXEA-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79853273
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cycloheptan-1-ol
CID 62609025
1-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]cyclopentane-1-carbonitrile
CID 82120574
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 22691367
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 62256687
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-piperidin-2-ylacetamide
CID 43648898
(2S)-N-(1,1-dioxothiolan-3-yl)-N-methylpiperidine-2-carboxamide
CID 103807849
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 114084405) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is CN(CC1NCCCC1(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is SYEACYSIEOAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-13(2)6-4-7-14-12(13)9-15(3)11-5-8-18(16,17)10-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 114084405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).