3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine

C11H20N2S — CID 131198222

IUPAC3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC1CSCC1N1CC2CC(C1)C2N
InChIInChI=1S/C11H20N2S/c1-7-5-14-6-10(7)13-3-8-2-9(4-13)11(8)12/h7-11H,2-6,12H2,1H3
InChIKeyKCGPRDULUUOGAM-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.02
Rot. Bonds1

About 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine

3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine (PubChem CID 131198222) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine.

Molecular Properties

Compound Name3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine
PubChem CID131198222
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine
SMILESCC1CSCC1N1CC2CC(C1)C2N
InChIInChI=1S/C11H20N2S/c1-7-5-14-6-10(7)13-3-8-2-9(4-13)11(8)12/h7-11H,2-6,12H2,1H3
InChIKeyKCGPRDULUUOGAM-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]thiolan-3-amine
CID 43182478
N-methyl-N-(piperidin-3-ylmethyl)thiolan-3-amine
CID 43296816
N-[3-(4-methylpiperidin-1-yl)propyl]thian-4-amine
CID 43394947
3',7'-Di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3-aza-7-azoniabicyclo[3.3.1]nonane]
CID 44320377
N-(2-methyl-3-piperidin-1-ylpropyl)thian-4-amine
CID 54893757
N-(2-methyl-3-piperidin-1-ylpropyl)thian-3-amine
CID 55129598
N-(2-methyl-3-piperidin-1-ylpropyl)thiolan-3-amine
CID 61020549
N-methyl-1-[1-(thiolan-3-yl)piperidin-3-yl]methanamine
CID 61205054
N-methyl-1-[1-(thian-4-yl)piperidin-3-yl]methanamine
CID 61565605
(1-(Tetrahydrothiophen-3-yl)piperidin-3-yl)methanamine
CID 61788476
[1-(Thian-4-yl)piperidin-3-yl]methanamine
CID 61788865
N-[(1-methylpiperidin-3-yl)methyl]thian-4-amine
CID 61798607

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The IUPAC name of 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine (CID 131198222) is 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine.
What is the SMILES notation for 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The canonical SMILES for 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine is CC1CSCC1N1CC2CC(C1)C2N.
What is the InChIKey of 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
The InChIKey is KCGPRDULUUOGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-7-5-14-6-10(7)13-3-8-2-9(4-13)11(8)12/h7-11H,2-6,12H2,1H3.
What are the key properties of 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine?
3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine has a molecular weight of 212.36 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiolan-3-yl)-3-azabicyclo[3.1.1]heptan-6-amine is sourced from PubChem (CID 131198222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).