3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C12H20N2OS — CID 103811724

IUPAC3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCSC1
InChIInChI=1S/C12H20N2OS/c13-11-8-2-1-7(5-8)10(11)12(15)14-9-3-4-16-6-9/h7-11H,1-6,13H2,(H,14,15)
InChIKeyACFGJLHHOZEWAU-UHFFFAOYSA-N
MW240.37 g/mol
LogP0.98
Rot. Bonds2

About 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103811724) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103811724
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCSC1
InChIInChI=1S/C12H20N2OS/c13-11-8-2-1-7(5-8)10(11)12(15)14-9-3-4-16-6-9/h7-11H,1-6,13H2,(H,14,15)
InChIKeyACFGJLHHOZEWAU-UHFFFAOYSA-N
XLogP0.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-cyclobutylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726919
3-amino-N-(thian-4-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119756548
3-amino-N-(1-ethylsulfonylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119702890
3-amino-N-(1-cyclohexylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119895169
3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
CID 79194327
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119854201
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629
(1R,3S,5R)-N-(thiolan-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 131019792
3-amino-N-(1-propylpiperidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119834897
3-amino-N-(2-thiomorpholin-4-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103813669
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
3-amino-N-(2-amino-2-oxoethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726704

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 103811724) is 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCSC1.
What is the InChIKey of 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ACFGJLHHOZEWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-11-8-2-1-7(5-8)10(11)12(15)14-9-3-4-16-6-9/h7-11H,1-6,13H2,(H,14,15).
What are the key properties of 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(thiolan-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103811724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).