4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol

C12H24N2O3S — CID 115338656

IUPAC4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(C2(CN)CCS(=O)(=O)C2)CCN1C
InChIInChI=1S/C12H24N2O3S/c1-10-7-12(15,3-5-14(10)2)11(8-13)4-6-18(16,17)9-11/h10,15H,3-9,13H2,1-2H3
InChIKeyHEGWWWYJRNKEAV-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.40
Rot. Bonds2

About 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol

4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol (PubChem CID 115338656) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol
PubChem CID115338656
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol
SMILESCC1CC(O)(C2(CN)CCS(=O)(=O)C2)CCN1C
InChIInChI=1S/C12H24N2O3S/c1-10-7-12(15,3-5-14(10)2)11(8-13)4-6-18(16,17)9-11/h10,15H,3-9,13H2,1-2H3
InChIKeyHEGWWWYJRNKEAV-UHFFFAOYSA-N
XLogP-0.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(aminomethyl)cyclopropyl]-1,2-dimethylpiperidin-4-ol
CID 130513405
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-3-ethylcyclopentan-1-ol
CID 113290101
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2,2-dimethylcyclopentan-1-ol
CID 115338635
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855670
3-[1-(aminomethyl)cyclopropyl]-1,5-dimethylpyrrolidin-3-ol
CID 130513403
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-methylpiperidin-4-ol
CID 79135647
3-[2-(aminomethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1,5-dimethylpyrrolidin-3-ol
CID 81468062
4-amino-1,2-dimethylpiperidine-4-carboxamide
CID 79003697
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylpiperidin-4-ol
CID 79135208
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 63162443
3-[1-(aminomethyl)-4-propylcyclohexyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467761
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol?
The IUPAC name of 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol (CID 115338656) is 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol is CC1CC(O)(C2(CN)CCS(=O)(=O)C2)CCN1C.
What is the InChIKey of 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol?
The InChIKey is HEGWWWYJRNKEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-7-12(15,3-5-14(10)2)11(8-13)4-6-18(16,17)9-11/h10,15H,3-9,13H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol?
4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol has a molecular weight of 276.40 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-1,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 115338656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).