[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine

C12H24N2O2S — CID 117019706

IUPAC[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
SMILESCC1(C)C(CN)CCCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-12(2)10(8-13)4-3-6-14(12)11-5-7-17(15,16)9-11/h10-11H,3-9,13H2,1-2H3
InChIKeyHCEDVZRVROVOIM-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.62
Rot. Bonds2

About [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine

[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine (PubChem CID 117019706) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
PubChem CID117019706
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
SMILESCC1(C)C(CN)CCCN1C1CCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-12(2)10(8-13)4-3-6-14(12)11-5-7-17(15,16)9-11/h10-11H,3-9,13H2,1-2H3
InChIKeyHCEDVZRVROVOIM-UHFFFAOYSA-N
XLogP0.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopropyl-2,2-dimethylpiperidin-3-yl)ethanamine
CID 117019627
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-one
CID 117019113
1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-4-ol
CID 117019937
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504636
1-(1,1-dioxothiolan-3-yl)-6,6-dimethylpiperidine-3-carbonitrile
CID 117021160
[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
CID 63923859
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
CID 83847995
1-[1-[4-(aminomethyl)-1,1-dioxothian-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885389
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120774112
3-(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)thiolane 1,1-dioxide
CID 115824911

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine (CID 117019706) is [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine is CC1(C)C(CN)CCCN1C1CCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine?
The InChIKey is HCEDVZRVROVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-12(2)10(8-13)4-3-6-14(12)11-5-7-17(15,16)9-11/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine?
[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine has a molecular weight of 260.40 g/mol, XLogP of 0.62, 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)-2,2-dimethylpiperidin-3-yl]methanamine is sourced from PubChem (CID 117019706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).