2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine

C11H16N2S — CID 130820043

IUPAC2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCc1ccsc1CN1CC2CC1C2N
InChIInChI=1S/C11H16N2S/c1-7-2-3-14-10(7)6-13-5-8-4-9(13)11(8)12/h2-3,8-9,11H,4-6,12H2,1H3
InChIKeyWFAPXBRAXMYYKB-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.59
Rot. Bonds2

About 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine

2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine (PubChem CID 130820043) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine.

Molecular Properties

Compound Name2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine
PubChem CID130820043
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine
SMILESCc1ccsc1CN1CC2CC1C2N
InChIInChI=1S/C11H16N2S/c1-7-2-3-14-10(7)6-13-5-8-4-9(13)11(8)12/h2-3,8-9,11H,4-6,12H2,1H3
InChIKeyWFAPXBRAXMYYKB-UHFFFAOYSA-N
XLogP1.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
1-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552734
1-methylsulfonyl-4-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidine
CID 91921438
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
2-[1-[(3-methylthiophen-2-yl)methyl]-2,3-dihydroindol-3-yl]ethanamine
CID 63235084
(4aR,7aS)-1-(cyclopropylmethyl)-4-[(3-methylthiophen-2-yl)methyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70779331
3-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102787300
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
CID 54793677
CID 172777676
CID 172777676
(3R,4R)-4-(azepan-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 29000867
(5aR,8aR)-4-methyl-7-[(3-methylthiophen-2-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 124814911
(3aR,6R,7aS)-3a,6-dimethoxy-1-[(3-methylthiophen-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118776007

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine?
The IUPAC name of 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine (CID 130820043) is 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine.
What is the SMILES notation for 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine?
The canonical SMILES for 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine is Cc1ccsc1CN1CC2CC1C2N.
What is the InChIKey of 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine?
The InChIKey is WFAPXBRAXMYYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-2-3-14-10(7)6-13-5-8-4-9(13)11(8)12/h2-3,8-9,11H,4-6,12H2,1H3.
What are the key properties of 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine?
2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine has a molecular weight of 208.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylthiophen-2-yl)methyl]-2-azabicyclo[2.1.1]hexan-5-amine is sourced from PubChem (CID 130820043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).