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

C11H22N2O2S — CID 63162443

IUPAC[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESCC1CCCCN1C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c1-10-4-2-3-6-13(10)11(8-12)5-7-16(14,15)9-11/h10H,2-9,12H2,1H3
InChIKeyJFUSEYUQFSBQRA-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.38
Rot. Bonds2

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

[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 63162443) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID63162443
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESCC1CCCCN1C1(CN)CCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O2S/c1-10-4-2-3-6-13(10)11(8-12)5-7-16(14,15)9-11/h10H,2-9,12H2,1H3
InChIKeyJFUSEYUQFSBQRA-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-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145
[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63921849
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 82746287
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[3-methoxy-1-(2-methylpiperidin-1-yl)cyclobutyl]methanamine
CID 106821667
[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,1-dioxothian-3-yl]methanamine
CID 79940771
[3-(3-tert-butylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 113417076
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 65319426
[1,5-dimethyl-3-(2-methylazepan-1-yl)pyrrolidin-3-yl]methanamine
CID 81467694
[1-(2-methylazepan-1-yl)-4-propan-2-ylcycloheptyl]methanamine
CID 65089102
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43080296
[3,4-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64746034

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine (CID 63162443) is [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine is CC1CCCCN1C1(CN)CCS(=O)(=O)C1.
What is the InChIKey of [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is JFUSEYUQFSBQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10-4-2-3-6-13(10)11(8-12)5-7-16(14,15)9-11/h10H,2-9,12H2,1H3.
What are the key properties of [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine?
[3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-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 [3-(2-methylpiperidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 63162443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).