1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine

C10H20N2O2S — CID 62133246

IUPAC1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H20N2O2S/c11-10-1-4-12(5-2-10)7-9-3-6-15(13,14)8-9/h9-10H,1-8,11H2
InChIKeyOBVBOQPMKHVDIV-UHFFFAOYSA-N
MW232.35 g/mol
LogP-0.16
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine

1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine (PubChem CID 62133246) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
PubChem CID62133246
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H20N2O2S/c11-10-1-4-12(5-2-10)7-9-3-6-15(13,14)8-9/h9-10H,1-8,11H2
InChIKeyOBVBOQPMKHVDIV-UHFFFAOYSA-N
XLogP-0.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine 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

1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-[(1,1-dioxothiolan-2-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 75427687
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(dimethylsulfamoylamino)-1-[(3S)-1,1-dioxothiolan-3-yl]piperidine
CID 129529395
3-[[3-(Aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine
CID 123411945
3-Piperidin-1-ium-1-ylthiolane 1,1-dioxide chloride
CID 2896399
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43780192
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 60856956
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873
1,1-dioxo-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]thiolan-3-amine
CID 62574609

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine (CID 62133246) is 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine is NC1CCN(CC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The InChIKey is OBVBOQPMKHVDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c11-10-1-4-12(5-2-10)7-9-3-6-15(13,14)8-9/h9-10H,1-8,11H2.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine has a molecular weight of 232.35 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 62133246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).