[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine

C11H22N2O2S — CID 63923859

IUPAC[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1C1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c12-8-10-4-1-2-6-13(10)11-5-3-7-16(14,15)9-11/h10-11H,1-9,12H2
InChIKeyUYGYBATXFNQJMD-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.38
Rot. Bonds2

About [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine

[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine (PubChem CID 63923859) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
PubChem CID63923859
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1C1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c12-8-10-4-1-2-6-13(10)11-5-3-7-16(14,15)9-11/h10-11H,1-9,12H2
InChIKeyUYGYBATXFNQJMD-UHFFFAOYSA-N
XLogP0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,1-dioxothiolan-3-yl)piperidin-2-yl]methanol
CID 62021749
(1-cyclopropylpiperidin-2-yl)methanamine
CID 83694601
(1-cycloheptylazepan-2-yl)methanamine
CID 116640538
[1-(1,1-dioxothiolan-3-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504636
[1-(3-propan-2-ylcyclobutyl)piperidin-2-yl]methanamine
CID 103563708
3-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-2-yl]propanoic acid
CID 117028648
[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]methanamine
CID 64624658
1-(1,1-dioxothian-3-yl)-2,3-dimethylpiperidin-4-amine
CID 79407299
methyl 1-(1,1-dioxothiolan-3-yl)piperidine-2-carboxylate
CID 115279161
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
[1-(thiepan-4-yl)pyrrolidin-2-yl]methanamine
CID 164646614
2-(1-cyclopentylpyrrolidin-2-yl)ethanamine
CID 73440122

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine (CID 63923859) is [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine is NCC1CCCCN1C1CCCS(=O)(=O)C1.
What is the InChIKey of [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine?
The InChIKey is UYGYBATXFNQJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c12-8-10-4-1-2-6-13(10)11-5-3-7-16(14,15)9-11/h10-11H,1-9,12H2.
What are the key properties of [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine?
[1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-3-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 63923859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).